| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN260 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    VLA-UCB-05e51b3f-7_1 | 
      
         | 
    2.6 ± 0.6 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1601 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-260658_1_1 | 
      
         | 
    2.7 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1529 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-52528_2_1 | 
      
         | 
    2.7 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1019 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-299920_2_1 | 
      
         | 
    2.7 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN974 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6732040_2_1 | 
      
         | 
    2.7 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN135 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAT-POS-b3e365b9-2_1 | 
      
         | 
    2.7 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1720 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-306495_2_1 | 
      
         | 
    2.7 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1298 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7355117_1_1 | 
      
         | 
    2.7 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1545 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1644723_2_3 | 
      
         | 
    2.7 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN230 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-3_1 | 
      
         | 
    2.7 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN746 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-05841_1_2 | 
      
         | 
    2.7 ± 0.6 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1355 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6489145_2_1 | 
      
         | 
    2.7 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN262 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-UNI-f51e3bbc-2_1 | 
      
         | 
    2.8 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN191 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    VLA-UCB-1dbca3b4-14_2 | 
      
         | 
    2.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1201 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-31210_2_2 | 
      
         | 
    2.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1049 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-191904_2_1 | 
      
         | 
    2.8 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN139 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    ALP-UNI-4b8a177c-1_2 | 
      
         | 
    2.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN136 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    VLA-UCB-1dbca3b4-15_2 | 
      
         | 
    2.9 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN739 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-172020_2_2 | 
      
         | 
    2.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN186 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-9_2 | 
      
         | 
    3.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1113 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-142412_2_1 | 
      
         | 
    3.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN154 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-7_2 | 
      
         | 
    3.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1632 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-31387_2_1 | 
      
         | 
    3.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN180 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    DAR-DIA-6a508060-8_2 | 
      
         | 
    3.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN541 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-182725_2_2 | 
      
         | 
    3.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1289 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-12929_2_1 | 
      
         | 
    3.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN929 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-74706_2_1 | 
      
         | 
    3.0 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN185 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    BEN-DND-c852c98b-3_2 | 
      
         | 
    3.1 ± 0.2 | 
      
         
      
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     | 
  ||||
| RUN1594 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-171215_2_1 | 
      
         | 
    3.1 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN99 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    DAR-DIA-6a508060-13_1 | 
      
         | 
    3.1 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN294 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-227055_2_2 | 
      
         | 
    3.1 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN214 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-3_3 | 
      
         | 
    3.1 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1648 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-30572_2_1 | 
      
         | 
    3.3 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN390 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1296824_2_1 | 
      
         | 
    3.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1033 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-33657_2_1 | 
      
         | 
    3.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1561 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-30397_2_2 | 
      
         | 
    3.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN462 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-16091_2_2 | 
      
         | 
    3.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1393 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7456948_2_1 | 
      
         | 
    3.4 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1008 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-05841_1_1 | 
      
         | 
    3.4 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1776 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-298552_2_2 | 
      
         | 
    3.5 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN269 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    VLA-UCB-34f3ed0c-3_1 | 
      
         | 
    3.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN113 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-1_2 | 
      
         | 
    3.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN162 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    BEN-BAS-5c03e89e-1_4 | 
      
         | 
    3.6 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1265 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-863933_2_1 | 
      
         | 
    3.6 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN232 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-UNI-f51e3bbc-2_2 | 
      
         | 
    3.6 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1233 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-43047_2_1 | 
      
         | 
    3.7 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN197 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-8_2 | 
      
         | 
    3.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1483 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6474064_2_1 | 
      
         | 
    3.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1105 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-315453_2_1 | 
      
         | 
    3.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN422 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-36855_2_1 | 
      
         | 
    3.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1497 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-201553_2_1 | 
      
         | 
    4.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN235 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-SUS-a69c159d-3_2 | 
      
         | 
    4.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1696 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-705386_2_1 | 
      
         | 
    4.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN231 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-83e0a0b4-2_2 | 
      
         | 
    4.0 ± 0.6 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN66 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-10_1 | 
      
         | 
    4.1 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1507 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6739879_2_3 | 
      
         | 
    4.1 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN144 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    NAU-LAT-b7d8c353-8_2 | 
      
         | 
    4.2 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN565 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-132523_2_1 | 
      
         | 
    4.2 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1752 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-223964_2_1 | 
      
         | 
    4.2 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1185 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-207873_2_1 | 
      
         | 
    4.2 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN430 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-68889_2_1 | 
      
         | 
    4.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1656 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-306047_2_1 | 
      
         | 
    4.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN145 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-6_2 | 
      
         | 
    4.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN913 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-152913_2_1 | 
      
         | 
    4.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1345 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-67073_2_2 | 
      
         | 
    4.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN106 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-UNI-f51e3bbc-1_1 | 
      
         | 
    4.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN302 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-27268_2_1 | 
      
         | 
    4.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN818 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6762327_2_1 | 
      
         | 
    4.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN454 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-223491_2_1 | 
      
         | 
    4.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN236 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-UNI-f51e3bbc-1_2 | 
      
         | 
    4.6 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN244 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-SUS-a69c159d-4_2 | 
      
         | 
    4.6 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN486 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-31210_2_1 | 
      
         | 
    4.6 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN228 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-UNI-f51e3bbc-3_2 | 
      
         | 
    4.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JAG-UCB-706446eb-3_1 | 
      
         | 
    4.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1457 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-10402_2_2 | 
      
         | 
    4.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1640 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-51071_2_1 | 
      
         | 
    5.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN261 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    VLA-UCB-50c39ae8-4_1 | 
      
         | 
    5.1 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN374 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1725538_2_2 | 
      
         | 
    5.1 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1281 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-259694_2_1 | 
      
         | 
    5.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN969 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6498076_2_1 | 
      
         | 
    5.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1353 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-24014_2_2 | 
      
         | 
    5.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1433 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-65383_2_1 | 
      
         | 
    5.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1470 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-05841_2_2 | 
      
         | 
    6.1 ± 0.6 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1041 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6729572_2_1 | 
      
         | 
    6.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN143 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-10_2 | 
      
         | 
    7.7 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN249 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-10_4 | 
      
         | 
    7.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN778 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-128750_2_1 | 
      
         | 
    15.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||