| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN5530 | MAT-POS-b3e365b9-1_1 |
|
EN300-366974_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN2147 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-13_6 |
|
−0.1 ± 0.5 |
|
|
||||
| RUN252 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-8_1 |
|
−0.06 ± 0.08 |
|
|
||||
| RUN5591 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600517_4_2_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN4756 | MAT-POS-b3e365b9-1_1 |
|
EN300-52589_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5839 | MAT-POS-b3e365b9-1_1 |
|
EN300-120586_4_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7464 | MAT-POS-b3e365b9-1_1 |
|
EN300-296237_1_2_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN7798 | MAT-POS-b3e365b9-1_1 |
|
EN300-249804_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN4302 | MAT-POS-b3e365b9-1_1 |
|
EN300-18074_4_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7554 | MAT-POS-b3e365b9-1_1 |
|
EN300-7435892_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7156 | MAT-POS-b3e365b9-1_1 |
|
EN300-734638_1_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN7619 | MAT-POS-b3e365b9-1_1 |
|
EN300-307592_2_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN2667 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-12_2 |
|
−0.1 ± 0.6 |
|
|
||||
| RUN5629 | MAT-POS-b3e365b9-1_1 |
|
EN300-01527_2_2_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5446 | MAT-POS-b3e365b9-1_1 |
|
EN300-1448603_3_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN4680 | MAT-POS-b3e365b9-1_1 |
|
EN300-88417_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN1455 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-70_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN534 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-cdc2493e-15_2 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN6617 | MAT-POS-b3e365b9-1_1 |
|
EN300-69070_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN5673 | MAT-POS-b3e365b9-1_1 |
|
EN300-28106_2_2_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5557 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-10_2_1 |
|
−0.1 ± 0.1 |
|
|
||||
| RUN6158 | MAT-POS-b3e365b9-1_1 |
|
EN300-7353672_1_2_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN6996 | MAT-POS-b3e365b9-1_1 |
|
EN300-33553_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN6692 | MAT-POS-b3e365b9-1_1 |
|
EN300-1724086_2_2_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN5345 | MAT-POS-b3e365b9-1_1 |
|
EN300-28177_2_4_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN1041 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-f2e727cd-6_2 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN1392 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-1_1 |
|
−0.0 ± 0.5 |
|
|
||||
| RUN1544 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-4c68219f-11_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN2027 | MAT-POS-b3e365b9-1_1 |
|
LEE-CAM-7ab9b158-1_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN4957 | MAT-POS-b3e365b9-1_1 |
|
EN300-317555_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN4667 | MAT-POS-b3e365b9-1_1 |
|
EN300-79022_4_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN3598 | MAT-POS-b3e365b9-1_1 |
|
EN300-269453_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN5093 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_4_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN4454 | MAT-POS-b3e365b9-1_1 |
|
EN300-13000_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN5846 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-4_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN71 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-8df914d1-1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN1944 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-26_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN7589 | MAT-POS-b3e365b9-1_1 |
|
EN300-262745_2_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN7458 | MAT-POS-b3e365b9-1_1 |
|
EN300-247468_2_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN6130 | MAT-POS-b3e365b9-1_1 |
|
EN300-160143_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN6623 | MAT-POS-b3e365b9-1_1 |
|
EN300-716082_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN2067 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-76695c4f-4_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN2143 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-2_5 |
|
−0.0 ± 0.6 |
|
|
||||
| RUN2209 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-5b152d2f-2_1 |
|
−0.04 ± 0.05 |
|
|
||||
| RUN6870 | MAT-POS-b3e365b9-1_1 |
|
EN300-227044_1_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN7815 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-d3acb8cc-4_1_1 |
|
−0.04 ± 0.04 |
|
|
||||
| RUN6384 | MAT-POS-b3e365b9-1_1 |
|
EN300-02015_2_1_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN1989 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-16_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN1744 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-98_2 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN6192 | MAT-POS-b3e365b9-1_1 |
|
EN300-262389_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN2632 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-8_1 |
|
−0.0 ± 0.5 |
|
|
||||
| RUN6518 | MAT-POS-b3e365b9-1_1 |
|
EN300-98099_2_1_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN1991 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-19_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN7373 | MAT-POS-b3e365b9-1_1 |
|
EN300-316679_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN2142 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-16ccb665-3_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN1050 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-f2e727cd-1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN6155 | MAT-POS-b3e365b9-1_1 |
|
EN300-33601_1_2_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN7092 | MAT-POS-b3e365b9-1_1 |
|
EN300-107435_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN561 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-28ec730d-3_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN2372 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3496895b-2_3 |
|
−0.0 ± 0.6 |
|
|
||||
| RUN7744 | MAT-POS-b3e365b9-1_1 |
|
EN300-07752_2_1_1 |
|
−0.0 ± 0.5 |
|
|
||||
| RUN3848 | MAT-POS-b3e365b9-1_1 |
|
EN300-249093_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN4217 | MAT-POS-b3e365b9-1_1 |
|
EN300-331828_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN4187 | MAT-POS-b3e365b9-1_1 |
|
EN300-117414_1_2_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN4822 | MAT-POS-b3e365b9-1_1 |
|
EN300-204507_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN289 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-4_2 |
|
−0.0 ± 0.1 |
|
|
||||
| RUN5105 | MAT-POS-b3e365b9-1_1 |
|
EN300-248888_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN7322 | MAT-POS-b3e365b9-1_1 |
|
EN300-7444533_4_4_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN512 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-cdc2493e-8_8 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN402 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-1d44ff04-1_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN5300 | MAT-POS-b3e365b9-1_1 |
|
EN300-195756_4_1_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN4131 | MAT-POS-b3e365b9-1_1 |
|
EN300-257405_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN6795 | MAT-POS-b3e365b9-1_1 |
|
EN300-7427921_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN7446 | MAT-POS-b3e365b9-1_1 |
|
EN300-12440_3_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN7195 | MAT-POS-b3e365b9-1_1 |
|
EN300-148421_3_2_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN5881 | MAT-POS-b3e365b9-1_1 |
|
EN300-7370063_1_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN1111 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-7_1 |
|
−0.02 ± 0.05 |
|
|
||||
| RUN7223 | MAT-POS-b3e365b9-1_1 |
|
EN300-217526_4_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN2642 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-2_2 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN6391 | MAT-POS-b3e365b9-1_1 |
|
EN300-7352736_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN7374 | MAT-POS-b3e365b9-1_1 |
|
EN300-69312_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN7560 | MAT-POS-b3e365b9-1_1 |
|
EN300-1627945_2_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN6701 | MAT-POS-b3e365b9-1_1 |
|
EN300-49064_2_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN6577 | MAT-POS-b3e365b9-1_1 |
|
EN300-172640_1_4_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN275 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-11_2 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN7586 | MAT-POS-b3e365b9-1_1 |
|
EN300-104746_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN6959 | MAT-POS-b3e365b9-1_1 |
|
EN300-1703015_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN5194 | MAT-POS-b3e365b9-1_1 |
|
JOH-SUS-a69c159d-5_1_1 |
|
−0.02 ± 0.06 |
|
|
||||
| RUN3782 | MAT-POS-b3e365b9-1_1 |
|
EN300-191495_2_1_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN2046 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-76695c4f-4_3 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN6293 | MAT-POS-b3e365b9-1_1 |
|
EN300-75209_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN693 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-3_16 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN7772 | MAT-POS-b3e365b9-1_1 |
|
EN300-649738_4_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN4985 | MAT-POS-b3e365b9-1_1 |
|
EN300-6335413_1_1_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN4490 | MAT-POS-b3e365b9-1_1 |
|
EN300-244122_1_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN270 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-11_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN4795 | MAT-POS-b3e365b9-1_1 |
|
EN300-7396882_2_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN6371 | MAT-POS-b3e365b9-1_1 |
|
EN300-6482296_4_5_1 |
|
−0.0 ± 0.4 |
|
|
||||
| RUN6858 | MAT-POS-b3e365b9-1_1 |
|
EN300-364992_3_1_1 |
|
−0.0 ± 0.3 |
|
|
||||
| RUN5327 | MAT-POS-b3e365b9-1_1 |
|
EN300-1704404_1_2_1 |
|
−0.0 ± 0.3 |
|
|
||||