| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN4200 | MAT-POS-b3e365b9-1_1 |
|
EN300-92605_1_1_2 |
|
0.4 ± 0.4 |
|
|
||||
| RUN1677 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-46_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN6908 | MAT-POS-b3e365b9-1_1 |
|
EN300-1718424_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN632 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN5727 | MAT-POS-b3e365b9-1_1 |
|
EN300-172640_3_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN837 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-4_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2654 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-9_1 |
|
0.4 ± 0.5 |
|
|
||||
| RUN1948 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-9_2 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6066 | MAT-POS-b3e365b9-1_1 |
|
EN300-65853_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2905 | MAT-POS-b3e365b9-1_1 |
|
EN300-1716880_1_1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN5848 | MAT-POS-b3e365b9-1_1 |
|
EN300-109535_4_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6844 | MAT-POS-b3e365b9-1_1 |
|
EN300-6498888_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN182 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-bbbbc21a-3_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5092 | MAT-POS-b3e365b9-1_1 |
|
EN300-120586_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN873 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-6_2 |
|
0.4 ± 0.5 |
|
|
||||
| RUN2521 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-18_3 |
|
0.4 ± 0.3 |
|
|
||||
| RUN4836 | MAT-POS-b3e365b9-1_1 |
|
EN300-109827_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7081 | MAT-POS-b3e365b9-1_1 |
|
EN300-7444106_2_2_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN445 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-cdc2493e-6_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN7159 | MAT-POS-b3e365b9-1_1 |
|
EN300-1718675_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7745 | MAT-POS-b3e365b9-1_1 |
|
EN300-6733147_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6939 | MAT-POS-b3e365b9-1_1 |
|
EN300-7355477_1_7_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6509 | MAT-POS-b3e365b9-1_1 |
|
EN300-122847_2_1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN7085 | MAT-POS-b3e365b9-1_1 |
|
EN300-24014_1_1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN1118 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-4aa06b95-7_2 |
|
0.4 ± 0.4 |
|
|
||||
| RUN5864 | MAT-POS-b3e365b9-1_1 |
|
EN300-6501360_3_1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN7485 | MAT-POS-b3e365b9-1_1 |
|
EN300-203293_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1757 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-ee5ed7c8-7_2 |
|
0.4 ± 0.2 |
|
|
||||
| RUN7118 | MAT-POS-b3e365b9-1_1 |
|
EN300-386200_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2154 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-8_2 |
|
0.4 ± 0.4 |
|
|
||||
| RUN548 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-50cce87d-7_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN5808 | MAT-POS-b3e365b9-1_1 |
|
EN300-00271_1_1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN6853 | MAT-POS-b3e365b9-1_1 |
|
EN300-306495_3_1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN5364 | MAT-POS-b3e365b9-1_1 |
|
EN300-7547467_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6762 | MAT-POS-b3e365b9-1_1 |
|
EN300-109920_1_4_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN7632 | MAT-POS-b3e365b9-1_1 |
|
EN300-1968342_1_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2588 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-dbbfd3db-2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN719 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-13_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN6874 | MAT-POS-b3e365b9-1_1 |
|
EN300-128277_3_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7215 | MAT-POS-b3e365b9-1_1 |
|
EN300-682529_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1367 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-08fa0751-2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN6267 | MAT-POS-b3e365b9-1_1 |
|
EN300-98648_4_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5818 | MAT-POS-b3e365b9-1_1 |
|
EN300-211482_4_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN3774 | MAT-POS-b3e365b9-1_1 |
|
EN300-07268_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5026 | MAT-POS-b3e365b9-1_1 |
|
EN300-219020_4_1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN501 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-cdc2493e-10_3 |
|
0.4 ± 0.5 |
|
|
||||
| RUN7801 | MAT-POS-b3e365b9-1_1 |
|
EN300-48886_2_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN4967 | MAT-POS-b3e365b9-1_1 |
|
EN300-153668_1_1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN692 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-3875bbc8-1_2 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5794 | MAT-POS-b3e365b9-1_1 |
|
EN300-71558_4_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN4617 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600786_2_1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN6640 | MAT-POS-b3e365b9-1_1 |
|
EN300-1268016_2_16_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN481 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-cdc2493e-21_3 |
|
0.4 ± 0.4 |
|
|
||||
| RUN18 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-56_2 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7054 | MAT-POS-b3e365b9-1_1 |
|
EN300-246423_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7108 | MAT-POS-b3e365b9-1_1 |
|
EN300-307155_2_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7440 | MAT-POS-b3e365b9-1_1 |
|
EN300-1428805_1_1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN5091 | MAT-POS-b3e365b9-1_1 |
|
EN300-99161_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN398 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-23e5a6a0-7_2 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1577 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-12_4 |
|
0.4 ± 0.4 |
|
|
||||
| RUN5031 | MAT-POS-b3e365b9-1_1 |
|
EN300-252721_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN923 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-15_16 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2474 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-4_5 |
|
0.4 ± 0.5 |
|
|
||||
| RUN6771 | MAT-POS-b3e365b9-1_1 |
|
EN300-385267_1_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN641 | MAT-POS-b3e365b9-1_1 |
|
NAU-LAT-0543f7f2-10_2 |
|
0.4 ± 0.3 |
|
|
||||
| RUN4691 | MAT-POS-b3e365b9-1_1 |
|
EN300-126412_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1335 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-13_11 |
|
0.4 ± 0.7 |
|
|
||||
| RUN1706 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-ee5ed7c8-2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN2637 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-10_2 |
|
0.4 ± 0.5 |
|
|
||||
| RUN7508 | MAT-POS-b3e365b9-1_1 |
|
EN300-154332_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN26 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-56_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN6298 | MAT-POS-b3e365b9-1_1 |
|
EN300-1273362_4_2_1 |
|
0.4 ± 0.5 |
|
|
||||
| RUN565 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-50cce87d-2_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN6748 | MAT-POS-b3e365b9-1_1 |
|
EN300-82037_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5367 | MAT-POS-b3e365b9-1_1 |
|
EN300-19542_4_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1250 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-7_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN1457 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-45_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN306 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-8a69d52e-7_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN3209 | MAT-POS-b3e365b9-1_1 |
|
EN300-132157_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6543 | MAT-POS-b3e365b9-1_1 |
|
EN300-6729572_4_3_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN6940 | MAT-POS-b3e365b9-1_1 |
|
EN300-392640_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7253 | MAT-POS-b3e365b9-1_1 |
|
EN300-154942_2_1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN1271 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-076fb6ea-15_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN6754 | MAT-POS-b3e365b9-1_1 |
|
EN300-195924_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2594 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-27_1 |
|
0.4 ± 0.6 |
|
|
||||
| RUN7242 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-dc2b944c-15_1_1 |
|
0.4 ± 0.2 |
|
|
||||
| RUN2187 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-9_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN2243 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-2da19ca7-6_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7468 | MAT-POS-b3e365b9-1_1 |
|
EN300-1725538_3_2_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN4547 | MAT-POS-b3e365b9-1_1 |
|
EN300-67023_1_2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN5052 | MAT-POS-b3e365b9-1_1 |
|
EN300-142130_2_1_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN7751 | MAT-POS-b3e365b9-1_1 |
|
EN300-1723663_3_2_1 |
|
0.4 ± 0.4 |
|
|
||||
| RUN1002 | MAT-POS-b3e365b9-1_1 |
|
BEN-BAS-c2bc0d80-3_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN5443 | MAT-POS-b3e365b9-1_1 |
|
EN300-20160_1_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN1598 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-74_3 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2088 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-1f3f1a6f-3_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN2409 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-40433386-1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN7540 | MAT-POS-b3e365b9-1_1 |
|
EN300-124652_2_1_1 |
|
0.4 ± 0.3 |
|
|
||||
| RUN537 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-dc2b944c-9_1 |
|
0.4 ± 0.1 |
|
|
||||
| RUN368 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-1d44ff04-7_1 |
|
0.4 ± 0.4 |
|
|
||||