| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN220 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-83e0a0b4-3_1 |
|
−2.5 ± 0.4 |
|
|
||||
| RUN308 | MAT-POS-b3e365b9-1_1 |
|
EN300-73772_4_1 |
|
−2.5 ± 0.3 |
|
|
||||
| RUN229 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-44c99a80-3_1 |
|
−2.4 ± 0.2 |
|
|
||||
| RUN293 | MAT-POS-b3e365b9-1_1 |
|
EN300-83766_1_1 |
|
−2.4 ± 0.2 |
|
|
||||
| RUN803 | MAT-POS-b3e365b9-1_1 |
|
EN300-108236_3_1 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN1604 | MAT-POS-b3e365b9-1_1 |
|
EN300-128750_1_1 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN460 | MAT-POS-b3e365b9-1_1 |
|
EN300-175186_4_2 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN916 | MAT-POS-b3e365b9-1_1 |
|
EN300-1968342_3_1 |
|
−2.4 ± 0.4 |
|
|
||||
| RUN777 | MAT-POS-b3e365b9-1_1 |
|
EN300-216063_1_1 |
|
−2.4 ± 0.2 |
|
|
||||
| RUN423 | MAT-POS-b3e365b9-1_1 |
|
EN300-1724086_1_2 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN1378 | MAT-POS-b3e365b9-1_1 |
|
EN300-755161_3_1 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN1002 | MAT-POS-b3e365b9-1_1 |
|
EN300-3710141_3_1 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN1571 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_3_1 |
|
−2.4 ± 0.2 |
|
|
||||
| RUN1372 | MAT-POS-b3e365b9-1_1 |
|
EN300-861925_3_2 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN742 | MAT-POS-b3e365b9-1_1 |
|
EN300-203293_3_2 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN388 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_4_2 |
|
−2.4 ± 0.2 |
|
|
||||
| RUN1420 | MAT-POS-b3e365b9-1_1 |
|
EN300-221518_3_1 |
|
−2.4 ± 0.2 |
|
|
||||
| RUN1548 | MAT-POS-b3e365b9-1_1 |
|
EN300-1968342_3_2 |
|
−2.3 ± 0.4 |
|
|
||||
| RUN127 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-14_1 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN292 | MAT-POS-b3e365b9-1_1 |
|
EN300-171766_4_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN1724 | MAT-POS-b3e365b9-1_1 |
|
EN300-205486_1_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN703 | MAT-POS-b3e365b9-1_1 |
|
EN300-248526_3_1 |
|
−2.3 ± 0.6 |
|
|
||||
| RUN1424 | MAT-POS-b3e365b9-1_1 |
|
EN300-1715993_1_1 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN1468 | MAT-POS-b3e365b9-1_1 |
|
EN300-216063_3_1 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN370 | MAT-POS-b3e365b9-1_1 |
|
EN300-51736_1_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN266 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-34f3ed0c-4_1 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN571 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_4_2 |
|
−2.3 ± 0.5 |
|
|
||||
| RUN417 | MAT-POS-b3e365b9-1_1 |
|
EN300-1705754_3_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN576 | MAT-POS-b3e365b9-1_1 |
|
EN300-1253122_3_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN449 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_3_4 |
|
−2.3 ± 0.4 |
|
|
||||
| RUN441 | MAT-POS-b3e365b9-1_1 |
|
EN300-66432_3_1 |
|
−2.3 ± 0.4 |
|
|
||||
| RUN1655 | MAT-POS-b3e365b9-1_1 |
|
EN300-370967_1_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN738 | MAT-POS-b3e365b9-1_1 |
|
EN300-7003350_1_1 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN1530 | MAT-POS-b3e365b9-1_1 |
|
EN300-195924_3_2 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN221 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-11_1 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN457 | MAT-POS-b3e365b9-1_1 |
|
EN300-222969_3_2 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN813 | MAT-POS-b3e365b9-1_1 |
|
EN300-7463171_3_1 |
|
−2.3 ± 0.6 |
|
|
||||
| RUN1716 | MAT-POS-b3e365b9-1_1 |
|
EN300-173216_1_1 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN1364 | MAT-POS-b3e365b9-1_1 |
|
EN300-175186_3_2 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN1045 | MAT-POS-b3e365b9-1_1 |
|
EN300-198633_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN1293 | MAT-POS-b3e365b9-1_1 |
|
EN300-1248250_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN941 | MAT-POS-b3e365b9-1_1 |
|
EN300-51028_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN620 | MAT-POS-b3e365b9-1_1 |
|
EN300-1253178_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN1405 | MAT-POS-b3e365b9-1_1 |
|
EN300-11934_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN1300 | MAT-POS-b3e365b9-1_1 |
|
EN300-87334_3_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN1076 | MAT-POS-b3e365b9-1_1 |
|
EN300-6238494_3_2 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN264 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-5_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN1340 | MAT-POS-b3e365b9-1_1 |
|
EN300-317082_3_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN860 | MAT-POS-b3e365b9-1_1 |
|
EN300-264301_3_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN1338 | MAT-POS-b3e365b9-1_1 |
|
EN300-264744_3_2 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN673 | MAT-POS-b3e365b9-1_1 |
|
EN300-343474_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN529 | MAT-POS-b3e365b9-1_1 |
|
EN300-143564_1_2 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN1469 | MAT-POS-b3e365b9-1_1 |
|
EN300-783124_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN421 | MAT-POS-b3e365b9-1_1 |
|
EN300-05512_1_1 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN654 | MAT-POS-b3e365b9-1_1 |
|
EN300-110012_3_2 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN91 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-23e5a6a0-3_2 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN1048 | MAT-POS-b3e365b9-1_1 |
|
EN300-310888_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN461 | MAT-POS-b3e365b9-1_1 |
|
EN300-1659582_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN1402 | MAT-POS-b3e365b9-1_1 |
|
EN300-7444316_1_1 |
|
−2.2 ± 0.5 |
|
|
||||
| RUN310 | MAT-POS-b3e365b9-1_1 |
|
EN300-152337_2_2 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN940 | MAT-POS-b3e365b9-1_1 |
|
EN300-6238494_3_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN329 | MAT-POS-b3e365b9-1_1 |
|
EN300-6482967_3_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN1084 | MAT-POS-b3e365b9-1_1 |
|
EN300-195756_3_2 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN636 | MAT-POS-b3e365b9-1_1 |
|
EN300-171766_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN1138 | MAT-POS-b3e365b9-1_1 |
|
EN300-244909_3_1 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN628 | MAT-POS-b3e365b9-1_1 |
|
EN300-1253178_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN1165 | MAT-POS-b3e365b9-1_1 |
|
EN300-181492_1_2 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN983 | MAT-POS-b3e365b9-1_1 |
|
EN300-6736413_4_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN1102 | MAT-POS-b3e365b9-1_1 |
|
EN300-62574_2_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN1077 | MAT-POS-b3e365b9-1_1 |
|
EN300-315963_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN1705 | MAT-POS-b3e365b9-1_1 |
|
EN300-1726073_3_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN122 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-50c39ae8-6_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN790 | MAT-POS-b3e365b9-1_1 |
|
EN300-59478_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN1516 | MAT-POS-b3e365b9-1_1 |
|
EN300-21258_3_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN1643 | MAT-POS-b3e365b9-1_1 |
|
EN300-185378_3_2 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN1024 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600786_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN1324 | MAT-POS-b3e365b9-1_1 |
|
EN300-120282_3_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN71 | MAT-POS-b3e365b9-1_1 |
|
JOH-SUS-a69c159d-7_1 |
|
−2.10 ± 0.06 |
|
|
||||
| RUN458 | MAT-POS-b3e365b9-1_1 |
|
EN300-115017_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN751 | MAT-POS-b3e365b9-1_1 |
|
EN300-1708882_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN418 | MAT-POS-b3e365b9-1_1 |
|
EN300-107048_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN640 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_3_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN445 | MAT-POS-b3e365b9-1_1 |
|
EN300-17184_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN265 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-5_2 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN469 | MAT-POS-b3e365b9-1_1 |
|
EN300-1659582_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN124 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-50c39ae8-9_2 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN1088 | MAT-POS-b3e365b9-1_1 |
|
EN300-6255179_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN465 | MAT-POS-b3e365b9-1_1 |
|
EN300-261986_3_1 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN1699 | MAT-POS-b3e365b9-1_1 |
|
EN300-65839_3_2 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN466 | MAT-POS-b3e365b9-1_1 |
|
EN300-4293814_1_1 |
|
−2.0 ± 0.5 |
|
|
||||
| RUN1564 | MAT-POS-b3e365b9-1_1 |
|
EN300-18249_3_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN608 | MAT-POS-b3e365b9-1_1 |
|
EN300-62857_3_1 |
|
−2.0 ± 0.5 |
|
|
||||
| RUN101 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-18_1 |
|
−2.0 ± 0.1 |
|
|
||||
| RUN1071 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_4_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN1476 | MAT-POS-b3e365b9-1_1 |
|
EN300-216063_3_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN134 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-2_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN1579 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_3_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN1133 | MAT-POS-b3e365b9-1_1 |
|
EN300-1072972_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN141 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-50c39ae8-10_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN34 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-83e0a0b4-2_1 |
|
−2.0 ± 0.5 |
|
|
||||