| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN36 | MIC-UNK-91acba05-6_1 |
|
MIC-UNK-91acba05-3_1_1 |
|
−0.5 ± 0.1 |
|
|
||||
| RUN619 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-24589f88-5_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2817 | MIC-UNK-91acba05-6_1 |
|
amination-0001865_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN1720 | MIC-UNK-91acba05-6_1 |
|
amination-0000921_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN1737 | MIC-UNK-91acba05-6_1 |
|
amination-0000935_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN2682 | MIC-UNK-91acba05-6_1 |
|
amination-0001760_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN132 | MIC-UNK-91acba05-6_1 |
|
BEN-DND-f2e727cd-5_1_1 |
|
−0.4 ± 0.1 |
|
|
||||
| RUN1471 | MIC-UNK-91acba05-6_1 |
|
amination-0000681_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1341 | MIC-UNK-91acba05-6_1 |
|
amination-0000602_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1223 | MIC-UNK-91acba05-6_1 |
|
amination-0000495_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1634 | MIC-UNK-91acba05-6_1 |
|
amination-0000818_1_1 |
|
−0.4 ± 0.5 |
|
|
||||
| RUN628 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-139368ae-5_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1400 | MIC-UNK-91acba05-6_1 |
|
amination-0000620_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN3069 | MIC-UNK-91acba05-6_1 |
|
amination-0002071_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN551 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-9b23ef84-11_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1303 | MIC-UNK-91acba05-6_1 |
|
amination-0000565_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN849 | MIC-UNK-91acba05-6_1 |
|
amination-0000147_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2319 | MIC-UNK-91acba05-6_1 |
|
amination-0001487_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN586 | MIC-UNK-91acba05-6_1 |
|
JAG-UCB-571deb56-2_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN3020 | MIC-UNK-91acba05-6_1 |
|
amination-0001993_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN435 | MIC-UNK-91acba05-6_1 |
|
KAD-UNI-877d7bed-17_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN2781 | MIC-UNK-91acba05-6_1 |
|
amination-0001850_1_1 |
|
−0.42 ± 0.08 |
|
|
||||
| RUN2364 | MIC-UNK-91acba05-6_1 |
|
amination-0001523_1_1 |
|
−0.4 ± 0.5 |
|
|
||||
| RUN1325 | MIC-UNK-91acba05-6_1 |
|
amination-0000567_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN727 | MIC-UNK-91acba05-6_1 |
|
amination-0000030_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN2629 | MIC-UNK-91acba05-6_1 |
|
amination-0001722_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2436 | MIC-UNK-91acba05-6_1 |
|
amination-0001581_1_1 |
|
−0.4 ± 0.5 |
|
|
||||
| RUN1067 | MIC-UNK-91acba05-6_1 |
|
amination-0000329_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN1327 | MIC-UNK-91acba05-6_1 |
|
amination-0000577_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1060 | MIC-UNK-91acba05-6_1 |
|
amination-0000299_1_1 |
|
−0.4 ± 0.6 |
|
|
||||
| RUN1922 | MIC-UNK-91acba05-6_1 |
|
amination-0001088_1_1 |
|
−0.4 ± 0.5 |
|
|
||||
| RUN70 | MIC-UNK-91acba05-6_1 |
|
ADA-UCB-dc2b944c-9_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN3087 | MIC-UNK-91acba05-6_1 |
|
amination-0002074_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN552 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-40_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1549 | MIC-UNK-91acba05-6_1 |
|
amination-0000777_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN775 | MIC-UNK-91acba05-6_1 |
|
amination-0000108_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN111 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-23_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN721 | MIC-UNK-91acba05-6_1 |
|
amination-0000072_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN33 | MIC-UNK-91acba05-6_1 |
|
NAU-LAT-b7d8c353-8_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN892 | MIC-UNK-91acba05-6_1 |
|
amination-0000225_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1139 | MIC-UNK-91acba05-6_1 |
|
amination-0000396_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2419 | MIC-UNK-91acba05-6_1 |
|
amination-0001556_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN146 | MIC-UNK-91acba05-6_1 |
|
BEN-DND-c852c98b-7_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN268 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-33_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN1072 | MIC-UNK-91acba05-6_1 |
|
amination-0000336_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN3081 | MIC-UNK-91acba05-6_1 |
|
amination-0002059_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN2353 | MIC-UNK-91acba05-6_1 |
|
amination-0001492_1_1 |
|
−0.4 ± 0.5 |
|
|
||||
| RUN2266 | MIC-UNK-91acba05-6_1 |
|
amination-0001392_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN1120 | MIC-UNK-91acba05-6_1 |
|
amination-0000412_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN2895 | MIC-UNK-91acba05-6_1 |
|
amination-0001907_1_1 |
|
−0.36 ± 0.08 |
|
|
||||
| RUN346 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-611d11e7-9_1_1 |
|
−0.4 ± 1.0 |
|
|
||||
| RUN2782 | MIC-UNK-91acba05-6_1 |
|
amination-0001851_1_1 |
|
−0.36 ± 0.07 |
|
|
||||
| RUN868 | MIC-UNK-91acba05-6_1 |
|
amination-0000205_1_1 |
|
−0.4 ± 0.1 |
|
|
||||
| RUN1521 | MIC-UNK-91acba05-6_1 |
|
amination-0000743_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN223 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-5_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN843 | MIC-UNK-91acba05-6_1 |
|
amination-0000138_1_1 |
|
−0.4 ± 0.1 |
|
|
||||
| RUN1239 | MIC-UNK-91acba05-6_1 |
|
amination-0000487_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN50 | MIC-UNK-91acba05-6_1 |
|
VLA-UCB-50c39ae8-8_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2116 | MIC-UNK-91acba05-6_1 |
|
amination-0001222_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1390 | MIC-UNK-91acba05-6_1 |
|
amination-0000628_1_1 |
|
−0.3 ± 0.1 |
|
|
||||
| RUN1607 | MIC-UNK-91acba05-6_1 |
|
amination-0000820_1_1 |
|
−0.3 ± 0.5 |
|
|
||||
| RUN578 | MIC-UNK-91acba05-6_1 |
|
MIC-UNK-89b52b17-5_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1086 | MIC-UNK-91acba05-6_1 |
|
amination-0000376_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2115 | MIC-UNK-91acba05-6_1 |
|
amination-0001255_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2428 | MIC-UNK-91acba05-6_1 |
|
amination-0001563_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN383 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0587064e-15_1_1 |
|
−0.3 ± 0.5 |
|
|
||||
| RUN317 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-9e4459de-13_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN2441 | MIC-UNK-91acba05-6_1 |
|
amination-0001558_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1227 | MIC-UNK-91acba05-6_1 |
|
amination-0000476_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1194 | MIC-UNK-91acba05-6_1 |
|
amination-0000455_1_1 |
|
−0.3 ± 0.5 |
|
|
||||
| RUN228 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-7_1_1 |
|
−0.3 ± 0.1 |
|
|
||||
| RUN403 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-5369c344-4_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1532 | MIC-UNK-91acba05-6_1 |
|
amination-0000781_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2100 | MIC-UNK-91acba05-6_1 |
|
amination-0001248_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1057 | MIC-UNK-91acba05-6_1 |
|
amination-0000342_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1124 | MIC-UNK-91acba05-6_1 |
|
amination-0000401_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2214 | MIC-UNK-91acba05-6_1 |
|
amination-0001355_1_1 |
|
−0.3 ± 0.5 |
|
|
||||
| RUN1058 | MIC-UNK-91acba05-6_1 |
|
amination-0000292_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN953 | MIC-UNK-91acba05-6_1 |
|
amination-0000284_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN3034 | MIC-UNK-91acba05-6_1 |
|
amination-0002027_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN970 | MIC-UNK-91acba05-6_1 |
|
amination-0000274_1_1 |
|
−0.3 ± 0.6 |
|
|
||||
| RUN1142 | MIC-UNK-91acba05-6_1 |
|
amination-0000392_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN2819 | MIC-UNK-91acba05-6_1 |
|
amination-0001872_1_1 |
|
−0.31 ± 0.07 |
|
|
||||
| RUN2969 | MIC-UNK-91acba05-6_1 |
|
amination-0001964_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN208 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-8416115c-8_1_1 |
|
−0.3 ± 0.1 |
|
|
||||
| RUN38 | MIC-UNK-91acba05-6_1 |
|
MAK-UNK-8be7dca9-5_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1375 | MIC-UNK-91acba05-6_1 |
|
amination-0000625_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN693 | MIC-UNK-91acba05-6_1 |
|
amination-0000067_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1978 | MIC-UNK-91acba05-6_1 |
|
amination-0001162_1_1 |
|
−0.3 ± 0.5 |
|
|
||||
| RUN2063 | MIC-UNK-91acba05-6_1 |
|
amination-0001237_1_1 |
|
−0.3 ± 0.4 |
|
|
||||