| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1198 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-696356e4-1_1 |
|
−0.28 ± 0.04 |
|
|
||||
| RUN6529 | MAT-POS-b3e365b9-1_1 |
|
EN300-6491697_3_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN7113 | MAT-POS-b3e365b9-1_1 |
|
EN300-31147_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6880 | MAT-POS-b3e365b9-1_1 |
|
EN300-211482_2_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6429 | MAT-POS-b3e365b9-1_1 |
|
EN300-1425608_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6392 | MAT-POS-b3e365b9-1_1 |
|
EN300-52768_1_2_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN5241 | MAT-POS-b3e365b9-1_1 |
|
EN300-7456499_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4575 | MAT-POS-b3e365b9-1_1 |
|
EN300-217107_3_3_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5460 | MAT-POS-b3e365b9-1_1 |
|
EN300-21409_2_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6773 | MAT-POS-b3e365b9-1_1 |
|
EN300-220194_1_2_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6955 | MAT-POS-b3e365b9-1_1 |
|
EN300-299248_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6832 | MAT-POS-b3e365b9-1_1 |
|
EN300-105482_2_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN2167 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-5b152d2f-1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6633 | MAT-POS-b3e365b9-1_1 |
|
EN300-198633_3_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4335 | MAT-POS-b3e365b9-1_1 |
|
EN300-366687_1_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6845 | MAT-POS-b3e365b9-1_1 |
|
EN300-295515_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7812 | MAT-POS-b3e365b9-1_1 |
|
EN300-137255_2_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN978 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-28_2 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5889 | MAT-POS-b3e365b9-1_1 |
|
EN300-1452069_3_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN3205 | MAT-POS-b3e365b9-1_1 |
|
EN300-7431629_3_2_1 |
|
−0.3 ± 0.7 |
|
|
||||
| RUN3490 | MAT-POS-b3e365b9-1_1 |
|
EN300-80940_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1621 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-39_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2114 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-13_8 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1467 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-19_1 |
|
−0.3 ± 0.9 |
|
|
||||
| RUN6280 | MAT-POS-b3e365b9-1_1 |
|
EN300-2008102_3_2_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN6757 | MAT-POS-b3e365b9-1_1 |
|
EN300-7355477_1_3_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4803 | MAT-POS-b3e365b9-1_1 |
|
EN300-105267_2_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4649 | MAT-POS-b3e365b9-1_1 |
|
EN300-6505003_3_4_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN7405 | MAT-POS-b3e365b9-1_1 |
|
EN300-69312_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN2853 | MAT-POS-b3e365b9-1_1 |
|
EN300-95698_1_3_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN500 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-53907a1c-3_2 |
|
−0.3 ± 0.6 |
|
|
||||
| RUN1628 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-74_6 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6903 | MAT-POS-b3e365b9-1_1 |
|
EN300-69368_2_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7167 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-3_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6638 | MAT-POS-b3e365b9-1_1 |
|
EN300-54541_4_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6969 | MAT-POS-b3e365b9-1_1 |
|
EN300-171215_1_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4342 | MAT-POS-b3e365b9-1_1 |
|
EN300-127156_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7425 | MAT-POS-b3e365b9-1_1 |
|
EN300-30768_3_3_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7089 | MAT-POS-b3e365b9-1_1 |
|
EN300-315854_3_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5485 | MAT-POS-b3e365b9-1_1 |
|
EN300-299920_1_1_1 |
|
−0.3 ± 0.5 |
|
|
||||
| RUN3305 | MAT-POS-b3e365b9-1_1 |
|
EN300-299215_3_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1300 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-ce760d3f-7_1 |
|
−0.26 ± 0.04 |
|
|
||||
| RUN6562 | MAT-POS-b3e365b9-1_1 |
|
EN300-1654606_2_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN5962 | MAT-POS-b3e365b9-1_1 |
|
EN300-249764_2_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1649 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-64_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5663 | MAT-POS-b3e365b9-1_1 |
|
EN300-209068_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-53_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4704 | MAT-POS-b3e365b9-1_1 |
|
EN300-92031_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5969 | MAT-POS-b3e365b9-1_1 |
|
EN300-103144_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2994 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-34f3ed0c-21_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7187 | MAT-POS-b3e365b9-1_1 |
|
EN300-117931_2_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN3378 | MAT-POS-b3e365b9-1_1 |
|
EN300-717276_3_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5012 | MAT-POS-b3e365b9-1_1 |
|
EN300-174668_4_2_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN4677 | MAT-POS-b3e365b9-1_1 |
|
EN300-203293_4_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN2581 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-0b412456-4_1 |
|
−0.2 ± 0.4 |
|
|
||||
| RUN6093 | MAT-POS-b3e365b9-1_1 |
|
EN300-220194_3_4_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN1017 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-8d5af1ef-1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN5351 | MAT-POS-b3e365b9-1_1 |
|
EN300-251396_1_1_1 |
|
−0.2 ± 0.5 |
|
|
||||
| RUN3265 | MAT-POS-b3e365b9-1_1 |
|
EN300-300088_2_1_1 |
|
−0.2 ± 0.2 |
|
|
||||
| RUN5701 | MAT-POS-b3e365b9-1_1 |
|
EN300-220194_4_2_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN5778 | MAT-POS-b3e365b9-1_1 |
|
EN300-1588907_2_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN1004 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-28_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN7572 | MAT-POS-b3e365b9-1_1 |
|
EN300-45049_4_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN5681 | MAT-POS-b3e365b9-1_1 |
|
EN300-43972_2_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN3825 | MAT-POS-b3e365b9-1_1 |
|
EN300-65414_3_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN3569 | MAT-POS-b3e365b9-1_1 |
|
EN300-205616_1_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN7778 | MAT-POS-b3e365b9-1_1 |
|
EN300-268198_4_2_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN5432 | MAT-POS-b3e365b9-1_1 |
|
EN300-6953121_2_1_1 |
|
−0.2 ± 0.2 |
|
|
||||
| RUN7805 | MAT-POS-b3e365b9-1_1 |
|
EN300-62192_3_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN7191 | MAT-POS-b3e365b9-1_1 |
|
EN300-30458_3_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN615 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-ffc90da7-6_2 |
|
−0.2 ± 0.4 |
|
|
||||
| RUN5715 | MAT-POS-b3e365b9-1_1 |
|
EN300-1709745_2_1_1 |
|
−0.2 ± 0.2 |
|
|
||||
| RUN7445 | MAT-POS-b3e365b9-1_1 |
|
EN300-253187_2_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN4976 | MAT-POS-b3e365b9-1_1 |
|
EN300-52467_2_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN5168 | MAT-POS-b3e365b9-1_1 |
|
EN300-85760_2_2_1 |
|
−0.2 ± 0.2 |
|
|
||||
| RUN5669 | MAT-POS-b3e365b9-1_1 |
|
EN300-7457160_1_2_2 |
|
−0.2 ± 0.4 |
|
|
||||
| RUN7235 | MAT-POS-b3e365b9-1_1 |
|
EN300-332601_1_1_1 |
|
−0.2 ± 0.2 |
|
|
||||
| RUN6394 | MAT-POS-b3e365b9-1_1 |
|
EN300-305294_1_7_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN385 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-13af2da5-2_1 |
|
−0.2 ± 0.2 |
|
|
||||
| RUN7711 | MAT-POS-b3e365b9-1_1 |
|
EN300-204935_2_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN7171 | MAT-POS-b3e365b9-1_1 |
|
EN300-311920_3_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN5947 | MAT-POS-b3e365b9-1_1 |
|
EN300-103219_2_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN6360 | MAT-POS-b3e365b9-1_1 |
|
EN300-261859_2_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN3813 | MAT-POS-b3e365b9-1_1 |
|
EN300-60033_3_2_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN2446 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-28_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN1840 | MAT-POS-b3e365b9-1_1 |
|
CHO-MSK-5891c1ff-4_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN6062 | MAT-POS-b3e365b9-1_1 |
|
EN300-7434114_1_1_1 |
|
−0.2 ± 0.2 |
|
|
||||
| RUN4678 | MAT-POS-b3e365b9-1_1 |
|
EN300-6489289_3_2_2 |
|
−0.2 ± 0.6 |
|
|
||||
| RUN1981 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-11_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN6982 | MAT-POS-b3e365b9-1_1 |
|
EN300-7445396_3_1_1 |
|
−0.2 ± 0.5 |
|
|
||||
| RUN2412 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-18_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN6803 | MAT-POS-b3e365b9-1_1 |
|
EN300-69162_4_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN7822 | MAT-POS-b3e365b9-1_1 |
|
EN300-219531_2_1_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN1372 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-11_1 |
|
−0.2 ± 0.5 |
|
|
||||
| RUN389 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-1d44ff04-13_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN1288 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-971238d3-2_1 |
|
−0.2 ± 0.1 |
|
|
||||
| RUN5700 | MAT-POS-b3e365b9-1_1 |
|
EN300-24804_1_1_1 |
|
−0.2 ± 0.2 |
|
|
||||
| RUN6143 | MAT-POS-b3e365b9-1_1 |
|
EN300-60862_1_2_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN269 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-477dc5b7-3_2 |
|
−0.2 ± 0.4 |
|
|
||||
| RUN2670 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-6_1 |
|
−0.2 ± 0.5 |
|
|
||||