| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1782 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-43c25e9b-2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN1400 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-10_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN2607 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-32_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN384 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-91acba05-4_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN2305 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-0676e700-10_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN6159 | MAT-POS-b3e365b9-1_1 |
|
EN300-6486763_1_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN6690 | MAT-POS-b3e365b9-1_1 |
|
EN300-87334_4_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN5765 | MAT-POS-b3e365b9-1_1 |
|
EN300-1915260_2_1_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN7448 | MAT-POS-b3e365b9-1_1 |
|
EN300-1720418_2_1_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN1114 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-4aa06b95-7_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN6806 | MAT-POS-b3e365b9-1_1 |
|
EN300-7463171_2_1_1 |
|
0.3 ± 0.5 |
|
|
||||
| RUN257 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-10_1 |
|
0.33 ± 0.08 |
|
|
||||
| RUN7214 | MAT-POS-b3e365b9-1_1 |
|
EN300-307592_1_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN7792 | MAT-POS-b3e365b9-1_1 |
|
EN300-12204_2_1_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN1180 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-8416115c-10_3 |
|
0.3 ± 0.3 |
|
|
||||
| RUN6047 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_2_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN1102 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-4aa06b95-6_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN7094 | MAT-POS-b3e365b9-1_1 |
|
EN300-83827_1_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN5224 | MAT-POS-b3e365b9-1_1 |
|
EN300-05754_2_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN2556 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-0b412456-3_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN5416 | MAT-POS-b3e365b9-1_1 |
|
EN300-1988306_4_1_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN7207 | MAT-POS-b3e365b9-1_1 |
|
EN300-160080_2_1_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN6654 | MAT-POS-b3e365b9-1_1 |
|
EN300-383904_4_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN3 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-52_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN2080 | MAT-POS-b3e365b9-1_1 |
|
LEE-CAM-7ab9b158-1_6 |
|
0.3 ± 0.4 |
|
|
||||
| RUN5237 | MAT-POS-b3e365b9-1_1 |
|
EN300-1387104_4_1_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN6907 | MAT-POS-b3e365b9-1_1 |
|
EN300-6758671_1_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN2169 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d08626de-5_2 |
|
0.3 ± 0.1 |
|
|
||||
| RUN2672 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-13_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN6829 | MAT-POS-b3e365b9-1_1 |
|
EN300-210089_1_3_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN2359 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3496895b-11_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN6983 | MAT-POS-b3e365b9-1_1 |
|
EN300-79180_3_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN21 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-ddb41b15-6_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN7444 | MAT-POS-b3e365b9-1_1 |
|
EN300-266552_1_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN409 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-23e5a6a0-5_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN2000 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-18_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN6512 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_2_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN6739 | MAT-POS-b3e365b9-1_1 |
|
EN300-2923949_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN752 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-12_2 |
|
0.4 ± 0.4 |
|
|
||||
| RUN594 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-ffc90da7-2_7 |
|
0.4 ± 0.3 |
|
|
||||
| RUN3924 | MAT-POS-b3e365b9-1_1 |
|
EN300-100180_1_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN644 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-3_9 |
|
0.4 ± 0.4 |
|
|
||||
| RUN7487 | MAT-POS-b3e365b9-1_1 |
|
EN300-1644723_2_8_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7342 | MAT-POS-b3e365b9-1_1 |
|
EN300-205622_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1072 | MAT-POS-b3e365b9-1_1 |
|
BEN-BAS-5c03e89e-1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN97 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-7320d5d2-1_2 |
|
0.4 ± 0.5 |
|
|
||||
| RUN7417 | MAT-POS-b3e365b9-1_1 |
|
EN300-31845_1_2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN2011 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-27_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1345 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-56cf811e-1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7475 | MAT-POS-b3e365b9-1_1 |
|
EN300-7445890_2_3_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN6679 | MAT-POS-b3e365b9-1_1 |
|
EN300-04492_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN4523 | MAT-POS-b3e365b9-1_1 |
|
EN300-23317_4_2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN2546 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-22_3 |
|
0.4 ± 0.4 |
|
|
||||
| RUN109 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-d36ab305-1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN1155 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-8416115c-9_3 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7814 | MAT-POS-b3e365b9-1_1 |
|
EN300-1702911_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6813 | MAT-POS-b3e365b9-1_1 |
|
EN300-7435544_1_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1284 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-9_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1911 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-19_2 |
|
0.37 ± 0.10 |
|
|
||||
| RUN7426 | MAT-POS-b3e365b9-1_1 |
|
EN300-6487407_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7286 | MAT-POS-b3e365b9-1_1 |
|
EN300-98648_4_1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN7353 | MAT-POS-b3e365b9-1_1 |
|
EN300-1706173_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6046 | MAT-POS-b3e365b9-1_1 |
|
EN300-785910_4_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5892 | MAT-POS-b3e365b9-1_1 |
|
EN300-36690_3_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5041 | MAT-POS-b3e365b9-1_1 |
|
EN300-301690_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7289 | MAT-POS-b3e365b9-1_1 |
|
EN300-156212_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN426 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-644c43c7-1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN6934 | MAT-POS-b3e365b9-1_1 |
|
EN300-6472573_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7617 | MAT-POS-b3e365b9-1_1 |
|
EN300-141809_3_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1947 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-39_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7704 | MAT-POS-b3e365b9-1_1 |
|
EN300-43972_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN279 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-11_4 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5402 | MAT-POS-b3e365b9-1_1 |
|
EN300-6762563_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7602 | MAT-POS-b3e365b9-1_1 |
|
EN300-1725538_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5181 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494859_1_2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN7402 | MAT-POS-b3e365b9-1_1 |
|
EN300-331941_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6214 | MAT-POS-b3e365b9-1_1 |
|
EN300-99064_2_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6600 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-23e5a6a0-2_1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN1867 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-8_1 |
|
0.4 ± 0.1 |
|
|
||||
| RUN6256 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-7_1_1 |
|
0.4 ± 0.1 |
|
|
||||
| RUN6839 | MAT-POS-b3e365b9-1_1 |
|
EN300-331704_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2295 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-0676e700-9_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1933 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6be260fc-6_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN176 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-9582b2c5-1_8 |
|
0.4 ± 0.3 |
|
|
||||
| RUN998 | MAT-POS-b3e365b9-1_1 |
|
BEN-BAS-c2bc0d80-1_2 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7615 | MAT-POS-b3e365b9-1_1 |
|
EN300-35428_2_1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN354 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-c5865d42-2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN7430 | MAT-POS-b3e365b9-1_1 |
|
EN300-83280_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6850 | MAT-POS-b3e365b9-1_1 |
|
EN300-200699_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1359 | MAT-POS-b3e365b9-1_1 |
|
LAU-MED-88a3970a-15_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN6465 | MAT-POS-b3e365b9-1_1 |
|
EN300-1588753_1_1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN70 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-3b92565d-3_2 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2146 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-13_3 |
|
0.4 ± 0.6 |
|
|
||||
| RUN6941 | MAT-POS-b3e365b9-1_1 |
|
EN300-1071940_3_1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN1783 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-c7771779-2_2 |
|
0.4 ± 0.4 |
|
|
||||
| RUN6530 | MAT-POS-b3e365b9-1_1 |
|
EN300-72272_1_3_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6450 | MAT-POS-b3e365b9-1_1 |
|
EN300-114133_3_2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN646 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-3_8 |
|
0.4 ± 0.5 |
|
|
||||
| RUN5866 | MAT-POS-b3e365b9-1_1 |
|
EN300-2008120_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2681 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494474_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||