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