| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2482 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-4_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN3967 | MAT-POS-b3e365b9-1_1 |
|
EN300-268198_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7272 | MAT-POS-b3e365b9-1_1 |
|
EN300-2977549_4_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN6889 | MAT-POS-b3e365b9-1_1 |
|
EN300-155176_3_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN6807 | MAT-POS-b3e365b9-1_1 |
|
EN300-219496_2_2_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN3944 | MAT-POS-b3e365b9-1_1 |
|
EN300-18249_4_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN29 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-3b92565d-2_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7674 | MAT-POS-b3e365b9-1_1 |
|
EN300-7494324_3_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7571 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-2_1_1 |
|
−0.12 ± 0.05 |
|
|
||||
| RUN1940 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-4_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN3589 | MAT-POS-b3e365b9-1_1 |
|
EN300-306316_4_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN4078 | MAT-POS-b3e365b9-1_1 |
|
EN300-349304_2_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN1356 | MAT-POS-b3e365b9-1_1 |
|
LAU-MED-88a3970a-11_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN5624 | MAT-POS-b3e365b9-1_1 |
|
EN300-1705754_4_1_1 |
|
−0.1 ± 0.5 |
|
|
||||
| RUN5762 | MAT-POS-b3e365b9-1_1 |
|
EN300-1630093_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7526 | MAT-POS-b3e365b9-1_1 |
|
EN300-187998_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5597 | MAT-POS-b3e365b9-1_1 |
|
EN300-113234_1_2_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN47 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-3b848b35-4_2 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN4938 | MAT-POS-b3e365b9-1_1 |
|
EN300-195756_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN2004 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-3_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN6675 | MAT-POS-b3e365b9-1_1 |
|
EN300-94856_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN1671 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-90_2 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN363 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-91acba05-1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN7019 | MAT-POS-b3e365b9-1_1 |
|
EN300-237224_2_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN367 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-91acba05-3_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN2764 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-11_1_2 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN345 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-dd44aeb6-1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN7135 | MAT-POS-b3e365b9-1_1 |
|
EN300-176877_3_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN1133 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-4aa06b95-5_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN5620 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_4_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN336 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-dd44aeb6-2_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN1205 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-8416115c-14_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7387 | MAT-POS-b3e365b9-1_1 |
|
EN300-7442332_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN7176 | MAT-POS-b3e365b9-1_1 |
|
EN300-13489_2_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN1936 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-3_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN2694 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-11_4 |
|
−0.1 ± 0.6 |
|
|
||||
| RUN4939 | MAT-POS-b3e365b9-1_1 |
|
EN300-247617_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN2943 | MAT-POS-b3e365b9-1_1 |
|
EN300-103144_4_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN330 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-cf04cb02-1_1 |
|
−0.1 ± 0.5 |
|
|
||||
| RUN6604 | MAT-POS-b3e365b9-1_1 |
|
EN300-6745453_2_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN2465 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-2_3 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5768 | MAT-POS-b3e365b9-1_1 |
|
EN300-260696_1_6_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5582 | MAT-POS-b3e365b9-1_1 |
|
EN300-174603_2_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN1001 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-25_2 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN4207 | MAT-POS-b3e365b9-1_1 |
|
EN300-35843_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN4914 | MAT-POS-b3e365b9-1_1 |
|
EN300-158274_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5873 | MAT-POS-b3e365b9-1_1 |
|
EN300-31845_3_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN3990 | MAT-POS-b3e365b9-1_1 |
|
EN300-173562_1_3_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN259 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-8_1 |
|
−0.09 ± 0.09 |
|
|
||||
| RUN235 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-7_1 |
|
−0.1 ± 0.1 |
|
|
||||
| RUN7788 | MAT-POS-b3e365b9-1_1 |
|
EN300-264301_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5588 | MAT-POS-b3e365b9-1_1 |
|
EN300-23318_3_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN6422 | MAT-POS-b3e365b9-1_1 |
|
EN300-81038_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5611 | MAT-POS-b3e365b9-1_1 |
|
EN300-6499639_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN4941 | MAT-POS-b3e365b9-1_1 |
|
EN300-6489289_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN5758 | MAT-POS-b3e365b9-1_1 |
|
EN300-39007_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN6288 | MAT-POS-b3e365b9-1_1 |
|
EN300-211482_2_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN6 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-47_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN2948 | MAT-POS-b3e365b9-1_1 |
|
EN300-143564_1_2_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN1965 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-d91e0300-1_1 |
|
−0.08 ± 0.04 |
|
|
||||
| RUN1748 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-109_2 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN737 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-12_4 |
|
−0.1 ± 0.5 |
|
|
||||
| RUN5134 | MAT-POS-b3e365b9-1_1 |
|
EN300-395719_2_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7640 | MAT-POS-b3e365b9-1_1 |
|
EN300-249245_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN1732 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-ee5ed7c8-9_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN272 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-8a69d52e-1_3 |
|
−0.08 ± 0.04 |
|
|
||||
| RUN3828 | MAT-POS-b3e365b9-1_1 |
|
EN300-44873_1_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN5876 | MAT-POS-b3e365b9-1_1 |
|
EN300-1588613_3_4_1 |
|
−0.1 ± 0.5 |
|
|
||||
| RUN7626 | MAT-POS-b3e365b9-1_1 |
|
EN300-24014_3_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN2172 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d08626de-4_1 |
|
−0.1 ± 0.1 |
|
|
||||
| RUN7736 | MAT-POS-b3e365b9-1_1 |
|
EN300-318305_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN4301 | MAT-POS-b3e365b9-1_1 |
|
EN300-26603_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5786 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-8a69d52e-1_4_1 |
|
−0.08 ± 0.09 |
|
|
||||
| RUN6863 | MAT-POS-b3e365b9-1_1 |
|
EN300-65115_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN7654 | MAT-POS-b3e365b9-1_1 |
|
EN300-6255179_2_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN2557 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-20_3 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN6894 | MAT-POS-b3e365b9-1_1 |
|
EN300-1724771_3_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN6337 | MAT-POS-b3e365b9-1_1 |
|
EN300-1268016_1_15_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN6185 | MAT-POS-b3e365b9-1_1 |
|
EN300-373446_1_1_1 |
|
−0.1 ± 0.6 |
|
|
||||
| RUN340 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-50011917-2_2 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN5652 | MAT-POS-b3e365b9-1_1 |
|
EN300-152705_1_1_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN4554 | MAT-POS-b3e365b9-1_1 |
|
EN300-144970_1_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN234 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-2_1 |
|
−0.07 ± 0.04 |
|
|
||||
| RUN6272 | MAT-POS-b3e365b9-1_1 |
|
EN300-1644723_2_5_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN4614 | MAT-POS-b3e365b9-1_1 |
|
EN300-1789253_2_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN3621 | MAT-POS-b3e365b9-1_1 |
|
EN300-80083_3_1_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN4921 | MAT-POS-b3e365b9-1_1 |
|
EN300-704025_2_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN1619 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-51_2 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7231 | MAT-POS-b3e365b9-1_1 |
|
EN300-6763470_1_2_1 |
|
−0.1 ± 0.2 |
|
|
||||
| RUN5644 | MAT-POS-b3e365b9-1_1 |
|
EN300-66494_3_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN2190 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-80f122c8-3_7 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5440 | MAT-POS-b3e365b9-1_1 |
|
EN300-297144_2_2_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN7631 | MAT-POS-b3e365b9-1_1 |
|
EN300-217107_4_2_1 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN6753 | MAT-POS-b3e365b9-1_1 |
|
EN300-6498351_3_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN5570 | MAT-POS-b3e365b9-1_1 |
|
EN300-7536177_3_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN3937 | MAT-POS-b3e365b9-1_1 |
|
EN300-378373_4_1_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN992 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-28_8 |
|
−0.1 ± 0.4 |
|
|
||||
| RUN5404 | MAT-POS-b3e365b9-1_1 |
|
JOH-SUS-a69c159d-2_1_1 |
|
−0.07 ± 0.05 |
|
|
||||
| RUN1517 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-5_1 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN1369 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-08fa0751-1_2 |
|
−0.1 ± 0.4 |
|
|
||||