| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1939 | MAT-POS-b3e365b9-1_1 |
|
EN300-211482_3_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN8760 | MAT-POS-b3e365b9-1_1 |
|
EN300-1719143_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN7146 | MAT-POS-b3e365b9-1_1 |
|
EN300-7494324_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN4601 | MAT-POS-b3e365b9-1_1 |
|
EN300-178829_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN4028 | MAT-POS-b3e365b9-1_1 |
|
EN300-142130_2_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN9698 | MAT-POS-b3e365b9-1_1 |
|
EN300-383904_3_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN3054 | MAT-POS-b3e365b9-1_1 |
|
EN300-31210_1_2 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN8656 | MAT-POS-b3e365b9-1_1 |
|
EN300-300294_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN4921 | MAT-POS-b3e365b9-1_1 |
|
EN300-173023_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN2750 | MAT-POS-b3e365b9-1_1 |
|
EN300-54304_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN844 | MAT-POS-b3e365b9-1_1 |
|
EN300-178293_3_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN6251 | MAT-POS-b3e365b9-1_1 |
|
EN300-61636_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN7715 | MAT-POS-b3e365b9-1_1 |
|
EN300-685492_2_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN9835 | MAT-POS-b3e365b9-1_1 |
|
EN300-7499295_2_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN10645 | MAT-POS-b3e365b9-1_1 |
|
EN300-2007627_2_2 |
|
−1.2 ± 0.6 |
|
|
||||
| RUN2902 | MAT-POS-b3e365b9-1_1 |
|
EN300-248178_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN6906 | MAT-POS-b3e365b9-1_1 |
|
EN300-6491795_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN6399 | MAT-POS-b3e365b9-1_1 |
|
EN300-6478526_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN420 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_4_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN6448 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600363_2_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN8394 | MAT-POS-b3e365b9-1_1 |
|
EN300-1271924_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6826 | MAT-POS-b3e365b9-1_1 |
|
EN300-252721_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN1266 | MAT-POS-b3e365b9-1_1 |
|
EN300-31969_3_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN1944 | MAT-POS-b3e365b9-1_1 |
|
EN300-1932013_2_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN8502 | MAT-POS-b3e365b9-1_1 |
|
EN300-27476_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN9614 | MAT-POS-b3e365b9-1_1 |
|
EN300-126104_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6950 | MAT-POS-b3e365b9-1_1 |
|
EN300-312450_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1152 | MAT-POS-b3e365b9-1_1 |
|
EN300-23223_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN9071 | MAT-POS-b3e365b9-1_1 |
|
EN300-307053_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2566 | MAT-POS-b3e365b9-1_1 |
|
EN300-68889_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN40 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-29afea89-1_1 |
|
−1.1 ± 0.1 |
|
|
||||
| RUN1982 | MAT-POS-b3e365b9-1_1 |
|
EN300-20496_4_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1272 | MAT-POS-b3e365b9-1_1 |
|
EN300-174603_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN5309 | MAT-POS-b3e365b9-1_1 |
|
EN300-88656_2_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1346 | MAT-POS-b3e365b9-1_1 |
|
EN300-223741_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6308 | MAT-POS-b3e365b9-1_1 |
|
EN300-1662365_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7114 | MAT-POS-b3e365b9-1_1 |
|
EN300-139268_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN10148 | MAT-POS-b3e365b9-1_1 |
|
EN300-07752_1_4 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN309 | MAT-POS-b3e365b9-1_1 |
|
EN300-6238494_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7173 | MAT-POS-b3e365b9-1_1 |
|
EN300-100916_4_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2648 | MAT-POS-b3e365b9-1_1 |
|
EN300-178876_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN10333 | MAT-POS-b3e365b9-1_1 |
|
EN300-174668_4_2 |
|
−1.1 ± 0.5 |
|
|
||||
| RUN11251 | MAT-POS-b3e365b9-1_1 |
|
EN300-77006_4_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN8530 | MAT-POS-b3e365b9-1_1 |
|
EN300-208959_1_3 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6921 | MAT-POS-b3e365b9-1_1 |
|
EN300-76387_2_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1410 | MAT-POS-b3e365b9-1_1 |
|
EN300-96886_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7918 | MAT-POS-b3e365b9-1_1 |
|
EN300-31969_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN5047 | MAT-POS-b3e365b9-1_1 |
|
EN300-202922_3_3 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN8382 | MAT-POS-b3e365b9-1_1 |
|
EN300-94643_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN4035 | MAT-POS-b3e365b9-1_1 |
|
EN300-7471076_1_3 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6609 | MAT-POS-b3e365b9-1_1 |
|
EN300-24014_3_2 |
|
−1.1 ± 0.5 |
|
|
||||
| RUN10152 | MAT-POS-b3e365b9-1_1 |
|
EN300-5253939_3_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN11321 | MAT-POS-b3e365b9-1_1 |
|
EN300-72730_4_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN9738 | MAT-POS-b3e365b9-1_1 |
|
EN300-45049_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN8176 | MAT-POS-b3e365b9-1_1 |
|
EN300-69556_3_1 |
|
−1.1 ± 0.5 |
|
|
||||
| RUN5305 | MAT-POS-b3e365b9-1_1 |
|
EN300-148421_2_2 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN9401 | MAT-POS-b3e365b9-1_1 |
|
EN300-31998_4_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1989 | MAT-POS-b3e365b9-1_1 |
|
EN300-195756_2_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN4944 | MAT-POS-b3e365b9-1_1 |
|
EN300-7465222_2_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN694 | MAT-POS-b3e365b9-1_1 |
|
EN300-266117_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN555 | MAT-POS-b3e365b9-1_1 |
|
EN300-219020_4_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN5644 | MAT-POS-b3e365b9-1_1 |
|
EN300-6744028_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN4029 | MAT-POS-b3e365b9-1_1 |
|
EN300-14767_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN4970 | MAT-POS-b3e365b9-1_1 |
|
EN300-248888_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2628 | MAT-POS-b3e365b9-1_1 |
|
EN300-07936_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN9630 | MAT-POS-b3e365b9-1_1 |
|
EN300-154942_3_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN2301 | MAT-POS-b3e365b9-1_1 |
|
EN300-123489_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN6415 | MAT-POS-b3e365b9-1_1 |
|
EN300-14006_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7730 | MAT-POS-b3e365b9-1_1 |
|
EN300-6478432_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN4781 | MAT-POS-b3e365b9-1_1 |
|
EN300-211203_1_2 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN2251 | MAT-POS-b3e365b9-1_1 |
|
EN300-79588_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6793 | MAT-POS-b3e365b9-1_1 |
|
EN300-395719_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN8120 | MAT-POS-b3e365b9-1_1 |
|
EN300-99161_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2541 | MAT-POS-b3e365b9-1_1 |
|
EN300-143449_2_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN187 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-b66f7109-3_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN2641 | MAT-POS-b3e365b9-1_1 |
|
EN300-217107_2_4 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7634 | MAT-POS-b3e365b9-1_1 |
|
EN300-50228_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1198 | MAT-POS-b3e365b9-1_1 |
|
EN300-216063_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7446 | MAT-POS-b3e365b9-1_1 |
|
EN300-315854_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2521 | MAT-POS-b3e365b9-1_1 |
|
EN300-97758_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1668 | MAT-POS-b3e365b9-1_1 |
|
EN300-7089802_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1645 | MAT-POS-b3e365b9-1_1 |
|
EN300-1706036_2_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN3370 | MAT-POS-b3e365b9-1_1 |
|
EN300-1654606_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN8564 | MAT-POS-b3e365b9-1_1 |
|
EN300-72211_3_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6661 | MAT-POS-b3e365b9-1_1 |
|
EN300-132963_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN10880 | MAT-POS-b3e365b9-1_1 |
|
EN300-6739879_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN10834 | MAT-POS-b3e365b9-1_1 |
|
EN300-267855_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2795 | MAT-POS-b3e365b9-1_1 |
|
EN300-250126_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN10806 | MAT-POS-b3e365b9-1_1 |
|
EN300-244403_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN4530 | MAT-POS-b3e365b9-1_1 |
|
EN300-305996_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN11298 | MAT-POS-b3e365b9-1_1 |
|
EN300-1212400_1_4 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7054 | MAT-POS-b3e365b9-1_1 |
|
EN300-6503702_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1140 | MAT-POS-b3e365b9-1_1 |
|
EN300-1699871_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN5281 | MAT-POS-b3e365b9-1_1 |
|
EN300-205680_2_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN7662 | MAT-POS-b3e365b9-1_1 |
|
EN300-78121_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN9083 | MAT-POS-b3e365b9-1_1 |
|
EN300-206769_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN8020 | MAT-POS-b3e365b9-1_1 |
|
EN300-7355477_1_8 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7746 | MAT-POS-b3e365b9-1_1 |
|
EN300-6759512_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7943 | MAT-POS-b3e365b9-1_1 |
|
EN300-7433864_2_1 |
|
−1.1 ± 0.6 |
|
|
||||
| RUN403 | MAT-POS-b3e365b9-1_1 |
|
EN300-1241327_2_1 |
|
−1.1 ± 0.2 |
|
|
||||