| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1125 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-8416115c-3_3 |
|
0.9 ± 0.3 |
|
|
||||
| RUN5130 | MAT-POS-b3e365b9-1_1 |
|
EN300-219020_4_1_1 |
|
0.9 ± 0.3 |
|
|
||||
| RUN6914 | MAT-POS-b3e365b9-1_1 |
|
EN300-185751_2_1_1 |
|
0.9 ± 0.2 |
|
|
||||
| RUN2340 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3496895b-7_1 |
|
0.9 ± 0.3 |
|
|
||||
| RUN2649 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-3_1 |
|
0.9 ± 0.5 |
|
|
||||
| RUN1961 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-7_2 |
|
0.9 ± 0.3 |
|
|
||||
| RUN5731 | MAT-POS-b3e365b9-1_1 |
|
EN300-54891_2_1_1 |
|
0.9 ± 0.3 |
|
|
||||
| RUN977 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-25_4 |
|
0.9 ± 0.3 |
|
|
||||
| RUN3879 | MAT-POS-b3e365b9-1_1 |
|
EN300-2983332_2_2_1 |
|
0.9 ± 0.2 |
|
|
||||
| RUN1986 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-43_1 |
|
0.9 ± 0.4 |
|
|
||||
| RUN7498 | MAT-POS-b3e365b9-1_1 |
|
EN300-07752_2_4_1 |
|
0.9 ± 0.4 |
|
|
||||
| RUN6977 | MAT-POS-b3e365b9-1_1 |
|
EN300-1387145_1_2_1 |
|
0.9 ± 0.7 |
|
|
||||
| RUN749 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-21_1 |
|
0.9 ± 0.2 |
|
|
||||
| RUN5233 | MAT-POS-b3e365b9-1_1 |
|
EN300-121144_3_1_1 |
|
0.9 ± 0.4 |
|
|
||||
| RUN600 | MAT-POS-b3e365b9-1_1 |
|
NAU-LAT-0543f7f2-9_1 |
|
0.9 ± 0.4 |
|
|
||||
| RUN2486 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-15_1 |
|
0.9 ± 0.3 |
|
|
||||
| RUN2139 | MAT-POS-b3e365b9-1_1 |
|
VLA-UNK-f702bf1c-4_2 |
|
1.0 ± 0.3 |
|
|
||||
| RUN2128 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-e0fe77e5-10_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN2132 | MAT-POS-b3e365b9-1_1 |
|
LEE-CAM-7ab9b158-4_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN6473 | MAT-POS-b3e365b9-1_1 |
|
EN300-120920_2_1_1 |
|
1.0 ± 0.2 |
|
|
||||
| RUN201 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-9_1 |
|
1.0 ± 0.2 |
|
|
||||
| RUN3865 | MAT-POS-b3e365b9-1_1 |
|
EN300-39504_4_1_1 |
|
1.0 ± 0.5 |
|
|
||||
| RUN9 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-6c2cb422-1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN290 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-05e51b3f-11_2 |
|
1.0 ± 0.5 |
|
|
||||
| RUN1020 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-29_6 |
|
1.0 ± 0.3 |
|
|
||||
| RUN6772 | MAT-POS-b3e365b9-1_1 |
|
EN300-152337_2_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN1051 | MAT-POS-b3e365b9-1_1 |
|
JOH-SUS-a69c159d-7_2 |
|
1.0 ± 0.3 |
|
|
||||
| RUN6376 | MAT-POS-b3e365b9-1_1 |
|
EN300-6504498_1_2_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN6626 | MAT-POS-b3e365b9-1_1 |
|
EN300-209068_1_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN1010 | MAT-POS-b3e365b9-1_1 |
|
NAU-LAT-2fed8305-4_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN2032 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-33_1 |
|
1.0 ± 0.5 |
|
|
||||
| RUN5685 | MAT-POS-b3e365b9-1_1 |
|
EN300-1073391_1_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN6978 | MAT-POS-b3e365b9-1_1 |
|
EN300-7355477_1_6_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN1421 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-47_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN1140 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-8416115c-4_4 |
|
1.0 ± 0.3 |
|
|
||||
| RUN676 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-9_3 |
|
1.0 ± 0.4 |
|
|
||||
| RUN302 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-05e51b3f-11_1 |
|
1.0 ± 0.5 |
|
|
||||
| RUN7006 | MAT-POS-b3e365b9-1_1 |
|
EN300-13668_1_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN1766 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-12c115cc-1_1 |
|
1.0 ± 0.2 |
|
|
||||
| RUN6311 | MAT-POS-b3e365b9-1_1 |
|
EN300-11835_1_2_1 |
|
1.0 ± 0.5 |
|
|
||||
| RUN7523 | MAT-POS-b3e365b9-1_1 |
|
EN300-1296824_3_1_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN3758 | MAT-POS-b3e365b9-1_1 |
|
EN300-100689_3_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN7031 | MAT-POS-b3e365b9-1_1 |
|
EN300-307658_2_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN7028 | MAT-POS-b3e365b9-1_1 |
|
EN300-67050_1_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN825 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-8_2 |
|
1.0 ± 0.3 |
|
|
||||
| RUN7307 | MAT-POS-b3e365b9-1_1 |
|
EN300-7456801_1_1_4 |
|
1.0 ± 0.4 |
|
|
||||
| RUN7319 | MAT-POS-b3e365b9-1_1 |
|
EN300-7456801_1_1_3 |
|
1.0 ± 0.3 |
|
|
||||
| RUN844 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-12_5 |
|
1.0 ± 0.5 |
|
|
||||
| RUN1094 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-966f8da6-1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN6942 | MAT-POS-b3e365b9-1_1 |
|
EN300-7435581_2_1_2 |
|
1.0 ± 0.3 |
|
|
||||
| RUN603 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-1_3 |
|
1.0 ± 0.4 |
|
|
||||
| RUN4504 | MAT-POS-b3e365b9-1_1 |
|
EN300-42819_3_2_1 |
|
1.0 ± 0.2 |
|
|
||||
| RUN5063 | MAT-POS-b3e365b9-1_1 |
|
EN300-07752_1_4_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN7347 | MAT-POS-b3e365b9-1_1 |
|
EN300-82616_2_2_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN720 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-3875bbc8-2_2 |
|
1.0 ± 0.2 |
|
|
||||
| RUN6788 | MAT-POS-b3e365b9-1_1 |
|
EN300-24653_1_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN2598 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-21_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN2799 | MAT-POS-b3e365b9-1_1 |
|
EN300-157541_2_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN3318 | MAT-POS-b3e365b9-1_1 |
|
EN300-300020_3_1_1 |
|
1.0 ± 0.8 |
|
|
||||
| RUN1856 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-9_1 |
|
0.99 ± 0.09 |
|
|
||||
| RUN7627 | MAT-POS-b3e365b9-1_1 |
|
EN300-1722713_1_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN1507 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-4c68219f-14_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN358 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-c5865d42-1_2 |
|
1.0 ± 0.4 |
|
|
||||
| RUN1342 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-a38a7bdd-6_2 |
|
1.0 ± 0.4 |
|
|
||||
| RUN6003 | MAT-POS-b3e365b9-1_1 |
|
EN300-220194_2_4_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN7270 | MAT-POS-b3e365b9-1_1 |
|
EN300-861925_4_2_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN6706 | MAT-POS-b3e365b9-1_1 |
|
EN300-7432022_2_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN5036 | MAT-POS-b3e365b9-1_1 |
|
EN300-302290_2_1_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN6951 | MAT-POS-b3e365b9-1_1 |
|
EN300-6974806_2_1_1 |
|
1.0 ± 0.2 |
|
|
||||
| RUN6616 | MAT-POS-b3e365b9-1_1 |
|
EN300-248374_2_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN841 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-4_5 |
|
1.0 ± 0.3 |
|
|
||||
| RUN6091 | MAT-POS-b3e365b9-1_1 |
|
EN300-6486855_2_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN1904 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-19_1 |
|
1.0 ± 0.2 |
|
|
||||
| RUN4564 | MAT-POS-b3e365b9-1_1 |
|
EN300-181558_4_1_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN286 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-05e51b3f-16_1 |
|
1.0 ± 0.5 |
|
|
||||
| RUN5072 | MAT-POS-b3e365b9-1_1 |
|
EN300-1932013_2_2_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN5661 | MAT-POS-b3e365b9-1_1 |
|
EN300-219496_2_1_1 |
|
1.0 ± 0.5 |
|
|
||||
| RUN1307 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-a7517465-6_1 |
|
1.01 ± 0.08 |
|
|
||||
| RUN4824 | MAT-POS-b3e365b9-1_1 |
|
EN300-260418_3_1_3 |
|
1.0 ± 0.8 |
|
|
||||
| RUN5437 | MAT-POS-b3e365b9-1_1 |
|
EN300-261596_2_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN2001 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-10_1 |
|
1.0 ± 0.5 |
|
|
||||
| RUN6905 | MAT-POS-b3e365b9-1_1 |
|
EN300-160498_1_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN6106 | MAT-POS-b3e365b9-1_1 |
|
EN300-299215_2_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN742 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-12_8 |
|
1.0 ± 0.4 |
|
|
||||
| RUN12 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-54_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN6362 | MAT-POS-b3e365b9-1_1 |
|
EN300-125379_2_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN846 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-8_6 |
|
1.0 ± 0.3 |
|
|
||||
| RUN6698 | MAT-POS-b3e365b9-1_1 |
|
EN300-366540_1_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN6381 | MAT-POS-b3e365b9-1_1 |
|
EN300-6729572_4_5_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN2152 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-12_2 |
|
1.0 ± 0.7 |
|
|
||||
| RUN6355 | MAT-POS-b3e365b9-1_1 |
|
EN300-40947_2_2_1 |
|
1.0 ± 0.4 |
|
|
||||
| RUN7076 | MAT-POS-b3e365b9-1_1 |
|
EN300-256759_1_1_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN2016 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-36_1 |
|
1.0 ± 0.2 |
|
|
||||
| RUN5604 | MAT-POS-b3e365b9-1_1 |
|
EN300-2008102_4_1_1 |
|
1.0 ± 0.5 |
|
|
||||
| RUN5897 | MAT-POS-b3e365b9-1_1 |
|
EN300-6743781_1_1_1 |
|
1.0 ± 0.6 |
|
|
||||
| RUN403 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-c5865d42-2_2 |
|
1.0 ± 0.4 |
|
|
||||
| RUN2176 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-5d232de5-7_1 |
|
1.0 ± 0.3 |
|
|
||||
| RUN7603 | MAT-POS-b3e365b9-1_1 |
|
EN300-23942_2_1_1 |
|
1.0 ± 0.2 |
|
|
||||
| RUN5729 | MAT-POS-b3e365b9-1_1 |
|
EN300-124918_2_1_1 |
|
1.0 ± 0.2 |
|
|
||||
| RUN4138 | MAT-POS-b3e365b9-1_1 |
|
EN300-18610_1_2_1 |
|
1.0 ± 0.2 |
|
|
||||