| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN5190 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-109535_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN643 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-10170_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9577 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-36096_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11563 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-91609_1_3 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8436 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6745453_1_2 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11164 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-45182_3_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5698 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-19926_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN40 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    MAK-UNK-8be7dca9-1_1 | 
      
         | 
    −1.5 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4138 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-37077_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN159 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    DAR-DIA-0d514e7d-18_1 | 
      
         | 
    −1.5 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15348 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1717166_3_2 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6796 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-45049_1_2 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9793 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6487134_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3502 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-35778_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11922 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-305294_1_7 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8728 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-68203_3_2 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9679 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7355519_1_7 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13506 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-35778_3_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5877 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1268016_1_15 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1379 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6255179_4_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9808 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-27476_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9777 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-233951_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN238 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    JAG-UCB-706446eb-7_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6956 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-113564_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6688 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-68747_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN351 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-226314_1_2 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN14664 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-260152_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15055 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-169955_3_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8496 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-318305_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11713 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1072874_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2126 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6494158_3_4 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN14376 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-80083_3_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15223 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7430501_3_2 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1141 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6255179_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13718 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-104592_3_2 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15345 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-111863_3_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8548 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-134855_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10655 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-741926_1_2 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN957 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1911992_4_3 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6360 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-104592_3_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN12935 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-70133_2_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9690 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-2007627_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN748 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-52467_2_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2095 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-249899_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8941 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7463176_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3586 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-31102_1_1 | 
      
         | 
    −1.5 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1959 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-139167_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN14622 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-104395_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9417 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-2011576_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10693 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-108171_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8572 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-2666483_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1578 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-120920_2_2 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9105 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-28871_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1269 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-92031_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4386 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-246486_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9200 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-113234_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1929 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-221518_2_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1919 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-195756_3_2 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8227 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-99391_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4981 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-188356_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8849 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-314274_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5604 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-212381_2_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15264 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-201346_3_2 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15361 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-249804_3_2 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15027 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6953121_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4998 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-42252_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15507 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1178005_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15273 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-131132_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15365 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1653482_3_2 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5381 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-74200_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN14486 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7425362_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2554 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-15368_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7315 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-249086_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6666 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-55109_2_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10837 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1425677_3_2 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6824 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1425677_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8168 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-62448_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN668 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-364679_2_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN399 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7457160_1_2 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2801 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1604607_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1424 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-20496_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN609 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-123614_3_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2032 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-97300_1_2 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9636 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-122579_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6684 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-316216_1_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6952 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1387104_1_2 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7478 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-100467_4_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2797 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-68618_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN601 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6764893_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2012 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1600517_1_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN364 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-46832_2_1 | 
      
         | 
    −1.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9256 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-185751_3_1 | 
      
         | 
    −1.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN349 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-222357_4_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10145 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1268016_1_5 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN343 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7456499_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN12366 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-90531_1_3 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4434 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1704723_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5005 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-94945_3_2 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5798 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-147397_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7068 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7355519_1_4 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||