| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN4146 | MAT-POS-b3e365b9-1_1 |
|
EN300-261210_3_1_1 |
|
−3.7 ± 0.3 |
|
|
||||
| RUN3171 | MAT-POS-b3e365b9-1_1 |
|
EN300-25960_1_1_1 |
|
−3.7 ± 0.4 |
|
|
||||
| RUN3230 | MAT-POS-b3e365b9-1_1 |
|
EN300-6277108_1_4_1 |
|
−3.7 ± 0.2 |
|
|
||||
| RUN2870 | MAT-POS-b3e365b9-1_1 |
|
EN300-99391_1_2_1 |
|
−3.7 ± 0.2 |
|
|
||||
| RUN2454 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-6864a934-10_1 |
|
−3.7 ± 0.2 |
|
|
||||
| RUN4401 | MAT-POS-b3e365b9-1_1 |
|
EN300-195924_3_1_1 |
|
−3.7 ± 0.3 |
|
|
||||
| RUN2949 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-44c99a80-2_1_1 |
|
−3.7 ± 0.2 |
|
|
||||
| RUN3124 | MAT-POS-b3e365b9-1_1 |
|
EN300-80230_1_1_1 |
|
−3.7 ± 0.2 |
|
|
||||
| RUN2801 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-10_1_1 |
|
−3.6 ± 0.1 |
|
|
||||
| RUN1270 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-12_1 |
|
−3.6 ± 0.2 |
|
|
||||
| RUN5290 | MAT-POS-b3e365b9-1_1 |
|
EN300-298552_3_4_1 |
|
−3.6 ± 0.2 |
|
|
||||
| RUN2779 | MAT-POS-b3e365b9-1_1 |
|
EN300-1273362_3_2_1 |
|
−3.6 ± 0.4 |
|
|
||||
| RUN4022 | MAT-POS-b3e365b9-1_1 |
|
EN300-106432_1_1_1 |
|
−3.6 ± 0.2 |
|
|
||||
| RUN589 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-34f3ed0c-21_1 |
|
−3.6 ± 0.4 |
|
|
||||
| RUN3388 | MAT-POS-b3e365b9-1_1 |
|
EN300-2908024_1_2_1 |
|
−3.6 ± 0.3 |
|
|
||||
| RUN1313 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-12d8d43f-2_1 |
|
−3.6 ± 0.3 |
|
|
||||
| RUN2761 | MAT-POS-b3e365b9-1_1 |
|
EN300-332002_1_2_1 |
|
−3.6 ± 0.3 |
|
|
||||
| RUN3399 | MAT-POS-b3e365b9-1_1 |
|
EN300-6487755_1_1_1 |
|
−3.6 ± 0.3 |
|
|
||||
| RUN2440 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-6864a934-6_1 |
|
−3.5 ± 0.3 |
|
|
||||
| RUN2735 | MAT-POS-b3e365b9-1_1 |
|
EN300-6744029_1_1_1 |
|
−3.5 ± 0.3 |
|
|
||||
| RUN2804 | MAT-POS-b3e365b9-1_1 |
|
EN300-261859_1_1_1 |
|
−3.5 ± 0.2 |
|
|
||||
| RUN2448 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-6864a934-4_1 |
|
−3.5 ± 0.2 |
|
|
||||
| RUN4161 | MAT-POS-b3e365b9-1_1 |
|
EN300-61140_1_1_1 |
|
−3.5 ± 0.3 |
|
|
||||
| RUN2918 | MAT-POS-b3e365b9-1_1 |
|
EN300-133058_1_1_1 |
|
−3.4 ± 0.2 |
|
|
||||
| RUN3655 | MAT-POS-b3e365b9-1_1 |
|
EN300-173006_3_1_1 |
|
−3.4 ± 0.2 |
|
|
||||
| RUN5972 | MAT-POS-b3e365b9-1_1 |
|
EN300-210110_1_1_1 |
|
−3.4 ± 0.2 |
|
|
||||
| RUN4567 | MAT-POS-b3e365b9-1_1 |
|
EN300-7494324_1_2_1 |
|
−3.4 ± 0.3 |
|
|
||||
| RUN2834 | MAT-POS-b3e365b9-1_1 |
|
EN300-20496_3_1_1 |
|
−3.4 ± 0.2 |
|
|
||||
| RUN4065 | MAT-POS-b3e365b9-1_1 |
|
EN300-245264_3_1_1 |
|
−3.4 ± 0.3 |
|
|
||||
| RUN260 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-05e51b3f-10_1 |
|
−3.4 ± 0.3 |
|
|
||||
| RUN2961 | MAT-POS-b3e365b9-1_1 |
|
EN300-244278_1_1_1 |
|
−3.4 ± 0.3 |
|
|
||||
| RUN2582 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-0b412456-5_1 |
|
−3.4 ± 0.6 |
|
|
||||
| RUN2762 | MAT-POS-b3e365b9-1_1 |
|
EN300-86878_1_1_1 |
|
−3.4 ± 0.2 |
|
|
||||
| RUN329 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-50c39ae8-6_1 |
|
−3.4 ± 0.2 |
|
|
||||
| RUN5741 | MAT-POS-b3e365b9-1_1 |
|
EN300-123614_3_1_1 |
|
−3.4 ± 0.3 |
|
|
||||
| RUN3525 | MAT-POS-b3e365b9-1_1 |
|
EN300-378044_1_2_1 |
|
−3.4 ± 0.2 |
|
|
||||
| RUN3756 | MAT-POS-b3e365b9-1_1 |
|
EN300-7549555_1_1_1 |
|
−3.3 ± 0.2 |
|
|
||||
| RUN2813 | MAT-POS-b3e365b9-1_1 |
|
EN300-1703711_1_1_1 |
|
−3.3 ± 0.2 |
|
|
||||
| RUN3079 | MAT-POS-b3e365b9-1_1 |
|
EN300-315238_3_1_1 |
|
−3.3 ± 0.3 |
|
|
||||
| RUN1382 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-15_1 |
|
−3.3 ± 0.3 |
|
|
||||
| RUN2836 | MAT-POS-b3e365b9-1_1 |
|
EN300-862094_1_1_1 |
|
−3.3 ± 0.3 |
|
|
||||
| RUN4777 | MAT-POS-b3e365b9-1_1 |
|
EN300-217499_3_2_1 |
|
−3.3 ± 0.4 |
|
|
||||
| RUN4674 | MAT-POS-b3e365b9-1_1 |
|
EN300-86357_1_1_1 |
|
−3.3 ± 0.2 |
|
|
||||
| RUN3117 | MAT-POS-b3e365b9-1_1 |
|
EN300-69811_1_1_1 |
|
−3.3 ± 0.3 |
|
|
||||
| RUN2722 | MAT-POS-b3e365b9-1_1 |
|
EN300-147499_1_1_1 |
|
−3.3 ± 0.3 |
|
|
||||
| RUN3001 | MAT-POS-b3e365b9-1_1 |
|
EN300-198515_3_2_1 |
|
−3.2 ± 0.3 |
|
|
||||
| RUN2895 | MAT-POS-b3e365b9-1_1 |
|
EN300-122340_1_1_1 |
|
−3.2 ± 0.3 |
|
|
||||
| RUN3599 | MAT-POS-b3e365b9-1_1 |
|
EN300-378828_3_1_1 |
|
−3.2 ± 0.5 |
|
|
||||
| RUN582 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-28ec730d-5_1 |
|
−3.2 ± 0.2 |
|
|
||||
| RUN2940 | MAT-POS-b3e365b9-1_1 |
|
EN300-26973_1_1_1 |
|
−3.2 ± 0.2 |
|
|
||||
| RUN2783 | MAT-POS-b3e365b9-1_1 |
|
EN300-6738732_1_1_1 |
|
−3.2 ± 0.2 |
|
|
||||