| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN288 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-8a69d52e-4_2 |
|
−1.01 ± 0.05 |
|
|
||||
| RUN4167 | MAT-POS-b3e365b9-1_1 |
|
EN300-1664603_3_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3254 | MAT-POS-b3e365b9-1_1 |
|
EN300-256762_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6255 | MAT-POS-b3e365b9-1_1 |
|
EN300-718785_1_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4860 | MAT-POS-b3e365b9-1_1 |
|
EN300-158082_1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN6008 | MAT-POS-b3e365b9-1_1 |
|
EN300-76841_3_2_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN976 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-67d4a29a-1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN2460 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-43_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4430 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-6_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4377 | MAT-POS-b3e365b9-1_1 |
|
EN300-159633_1_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4996 | MAT-POS-b3e365b9-1_1 |
|
EN300-102007_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2962 | MAT-POS-b3e365b9-1_1 |
|
EN300-7412943_1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN3194 | MAT-POS-b3e365b9-1_1 |
|
EN300-7431629_3_2_4 |
|
−1.0 ± 0.9 |
|
|
||||
| RUN2385 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-20_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3749 | MAT-POS-b3e365b9-1_1 |
|
EN300-207959_1_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5326 | MAT-POS-b3e365b9-1_1 |
|
EN300-216673_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4899 | MAT-POS-b3e365b9-1_1 |
|
EN300-177118_1_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN2387 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-fcba3f31-12_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5352 | MAT-POS-b3e365b9-1_1 |
|
EN300-182725_1_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5909 | MAT-POS-b3e365b9-1_1 |
|
EN300-254121_1_2_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN4144 | MAT-POS-b3e365b9-1_1 |
|
EN300-2007627_1_2_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN4080 | MAT-POS-b3e365b9-1_1 |
|
EN300-1708848_1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN1326 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-11_7 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN4088 | MAT-POS-b3e365b9-1_1 |
|
EN300-154156_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5975 | MAT-POS-b3e365b9-1_1 |
|
EN300-6779469_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5538 | MAT-POS-b3e365b9-1_1 |
|
EN300-817811_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5439 | MAT-POS-b3e365b9-1_1 |
|
EN300-207765_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4092 | MAT-POS-b3e365b9-1_1 |
|
EN300-7183657_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4277 | MAT-POS-b3e365b9-1_1 |
|
EN300-6736413_2_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6456 | MAT-POS-b3e365b9-1_1 |
|
EN300-6764450_2_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1796 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-2d450e86-17_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1466 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-37_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4016 | MAT-POS-b3e365b9-1_1 |
|
EN300-95698_1_4_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3473 | MAT-POS-b3e365b9-1_1 |
|
EN300-761746_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5196 | MAT-POS-b3e365b9-1_1 |
|
EN300-227055_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4416 | MAT-POS-b3e365b9-1_1 |
|
EN300-250836_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2882 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-13af2da5-2_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN1975 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-24_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6859 | MAT-POS-b3e365b9-1_1 |
|
EN300-7457160_3_2_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN2030 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-29_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1935 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6be260fc-2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4586 | MAT-POS-b3e365b9-1_1 |
|
EN300-306316_2_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4783 | MAT-POS-b3e365b9-1_1 |
|
EN300-862647_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4196 | MAT-POS-b3e365b9-1_1 |
|
EN300-92605_1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN5350 | MAT-POS-b3e365b9-1_1 |
|
EN300-124973_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4556 | MAT-POS-b3e365b9-1_1 |
|
EN300-132624_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2574 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-0b412456-6_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN4470 | MAT-POS-b3e365b9-1_1 |
|
EN300-91609_1_4_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7580 | MAT-POS-b3e365b9-1_1 |
|
EN300-132963_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3958 | MAT-POS-b3e365b9-1_1 |
|
EN300-05277_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN412 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-23e5a6a0-2_2 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7678 | MAT-POS-b3e365b9-1_1 |
|
EN300-138170_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4896 | MAT-POS-b3e365b9-1_1 |
|
EN300-11195_2_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3931 | MAT-POS-b3e365b9-1_1 |
|
EN300-761618_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4760 | MAT-POS-b3e365b9-1_1 |
|
EN300-13890_3_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3873 | MAT-POS-b3e365b9-1_1 |
|
EN300-123489_2_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3834 | MAT-POS-b3e365b9-1_1 |
|
EN300-1704404_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6328 | MAT-POS-b3e365b9-1_1 |
|
EN300-6478631_3_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5190 | MAT-POS-b3e365b9-1_1 |
|
EN300-98429_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4538 | MAT-POS-b3e365b9-1_1 |
|
EN300-11441_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5931 | MAT-POS-b3e365b9-1_1 |
|
EN300-95698_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6240 | MAT-POS-b3e365b9-1_1 |
|
EN300-40947_1_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5464 | MAT-POS-b3e365b9-1_1 |
|
EN300-154912_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5829 | MAT-POS-b3e365b9-1_1 |
|
EN300-66461_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6414 | MAT-POS-b3e365b9-1_1 |
|
EN300-7355737_3_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN3031 | MAT-POS-b3e365b9-1_1 |
|
EN300-204935_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1314 | MAT-POS-b3e365b9-1_1 |
|
LAU-MED-88a3970a-1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4531 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_2_4_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6401 | MAT-POS-b3e365b9-1_1 |
|
EN300-6478054_1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN4565 | MAT-POS-b3e365b9-1_1 |
|
EN300-64536_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN1636 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-80_2 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5365 | MAT-POS-b3e365b9-1_1 |
|
EN300-31553_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN571 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-28ec730d-4_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN7304 | MAT-POS-b3e365b9-1_1 |
|
EN300-189563_4_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4861 | MAT-POS-b3e365b9-1_1 |
|
EN300-321790_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4596 | MAT-POS-b3e365b9-1_1 |
|
EN300-196140_1_2_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN7564 | MAT-POS-b3e365b9-1_1 |
|
EN300-301690_1_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN417 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-23e5a6a0-1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5478 | MAT-POS-b3e365b9-1_1 |
|
EN300-310888_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2353 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-fcba3f31-1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6087 | MAT-POS-b3e365b9-1_1 |
|
EN300-05620_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3933 | MAT-POS-b3e365b9-1_1 |
|
EN300-179091_3_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3817 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_1_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6855 | MAT-POS-b3e365b9-1_1 |
|
EN300-205486_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN130 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-c66144cb-3_2 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4155 | MAT-POS-b3e365b9-1_1 |
|
EN300-1644723_4_6_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN3640 | MAT-POS-b3e365b9-1_1 |
|
EN300-262604_1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN4340 | MAT-POS-b3e365b9-1_1 |
|
EN300-214800_4_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5055 | MAT-POS-b3e365b9-1_1 |
|
EN300-307053_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7494 | MAT-POS-b3e365b9-1_1 |
|
EN300-120562_1_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7713 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_4_4_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5286 | MAT-POS-b3e365b9-1_1 |
|
EN300-18249_2_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4654 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600517_2_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4206 | MAT-POS-b3e365b9-1_1 |
|
EN300-7535922_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2302 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-ea72002d-1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6603 | MAT-POS-b3e365b9-1_1 |
|
EN300-6745214_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN209 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-477dc5b7-5_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4703 | MAT-POS-b3e365b9-1_1 |
|
EN300-14458_2_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4589 | MAT-POS-b3e365b9-1_1 |
|
EN300-246248_2_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6605 | MAT-POS-b3e365b9-1_1 |
|
EN300-151461_2_2_1 |
|
−1.0 ± 0.4 |
|
|
||||