RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1608 | MIC-UNK-91acba05-6_1 |
|
amination-0000801_1_1 |
|
−0.3 ± 0.3 |
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RUN883 | MIC-UNK-91acba05-6_1 |
|
amination-0000211_1_1 |
|
−0.3 ± 0.3 |
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RUN617 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-a577c8a2-3_1_1 |
|
−0.3 ± 0.3 |
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RUN1671 | MIC-UNK-91acba05-6_1 |
|
amination-0000903_1_1 |
|
−0.3 ± 0.4 |
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RUN988 | MIC-UNK-91acba05-6_1 |
|
amination-0000269_1_1 |
|
−0.3 ± 0.5 |
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RUN2543 | MIC-UNK-91acba05-6_1 |
|
amination-0001661_1_1 |
|
−0.3 ± 0.5 |
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RUN1715 | MIC-UNK-91acba05-6_1 |
|
amination-0000908_1_1 |
|
−0.3 ± 0.7 |
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RUN2387 | MIC-UNK-91acba05-6_1 |
|
amination-0001519_1_1 |
|
−0.3 ± 0.6 |
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||||
RUN894 | MIC-UNK-91acba05-6_1 |
|
amination-0000188_1_1 |
|
−0.3 ± 0.3 |
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||||
RUN256 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-35_1_1 |
|
−0.3 ± 0.4 |
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RUN514 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-1b92fa34-3_1_1 |
|
−0.3 ± 0.3 |
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||||
RUN1824 | MIC-UNK-91acba05-6_1 |
|
amination-0000976_1_1 |
|
−0.3 ± 0.4 |
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||||
RUN267 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-17_1_1 |
|
−0.3 ± 0.2 |
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||||
RUN3082 | MIC-UNK-91acba05-6_1 |
|
amination-0002047_1_1 |
|
−0.3 ± 0.2 |
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||||
RUN2399 | MIC-UNK-91acba05-6_1 |
|
amination-0001538_1_1 |
|
−0.3 ± 0.3 |
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RUN1564 | MIC-UNK-91acba05-6_1 |
|
amination-0000817_1_1 |
|
−0.3 ± 0.5 |
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||||
RUN1215 | MIC-UNK-91acba05-6_1 |
|
amination-0000445_1_1 |
|
−0.3 ± 0.2 |
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||||
RUN1843 | MIC-UNK-91acba05-6_1 |
|
amination-0001038_1_1 |
|
−0.3 ± 0.5 |
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||||
RUN2139 | MIC-UNK-91acba05-6_1 |
|
amination-0001280_1_1 |
|
−0.3 ± 0.5 |
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||||
RUN1397 | MIC-UNK-91acba05-6_1 |
|
amination-0000621_1_1 |
|
−0.3 ± 0.4 |
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RUN2254 | MIC-UNK-91acba05-6_1 |
|
amination-0001356_1_1 |
|
−0.3 ± 0.3 |
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RUN1118 | MIC-UNK-91acba05-6_1 |
|
amination-0000411_1_1 |
|
−0.3 ± 0.2 |
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||||
RUN234 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-2_1_1 |
|
−0.3 ± 0.1 |
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RUN1304 | MIC-UNK-91acba05-6_1 |
|
amination-0000569_1_1 |
|
−0.3 ± 0.5 |
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||||
RUN1526 | MIC-UNK-91acba05-6_1 |
|
amination-0000768_1_1 |
|
−0.3 ± 0.5 |
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RUN722 | MIC-UNK-91acba05-6_1 |
|
amination-0000081_1_1 |
|
−0.3 ± 0.3 |
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||||
RUN871 | MIC-UNK-91acba05-6_1 |
|
amination-0000195_1_1 |
|
−0.3 ± 0.1 |
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RUN2691 | MIC-UNK-91acba05-6_1 |
|
amination-0001779_1_1 |
|
−0.3 ± 0.3 |
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RUN2278 | MIC-UNK-91acba05-6_1 |
|
amination-0001409_1_1 |
|
−0.2 ± 0.3 |
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RUN187 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-4aa06b95-7_1_2 |
|
−0.2 ± 0.2 |
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RUN1853 | MIC-UNK-91acba05-6_1 |
|
amination-0001035_1_1 |
|
−0.2 ± 0.4 |
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RUN1574 | MIC-UNK-91acba05-6_1 |
|
amination-0000817_1_1 |
|
−0.2 ± 0.4 |
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RUN1206 | MIC-UNK-91acba05-6_1 |
|
amination-0000451_1_1 |
|
−0.2 ± 0.4 |
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RUN2351 | MIC-UNK-91acba05-6_1 |
|
amination-0001500_1_1 |
|
−0.2 ± 0.4 |
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RUN2598 | MIC-UNK-91acba05-6_1 |
|
amination-0001696_1_1 |
|
−0.2 ± 0.4 |
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RUN419 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-9e4459de-15_1_1 |
|
−0.2 ± 0.2 |
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RUN2818 | MIC-UNK-91acba05-6_1 |
|
amination-0001858_1_1 |
|
−0.2 ± 0.2 |
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RUN1568 | MIC-UNK-91acba05-6_1 |
|
amination-0000793_1_1 |
|
−0.2 ± 0.5 |
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RUN1702 | MIC-UNK-91acba05-6_1 |
|
amination-0000896_1_1 |
|
−0.2 ± 0.6 |
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RUN553 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-9b23ef84-10_1_1 |
|
−0.2 ± 0.3 |
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RUN561 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-9b23ef84-15_1_1 |
|
−0.2 ± 0.3 |
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RUN42 | MIC-UNK-91acba05-6_1 |
|
MAK-UNK-8be7dca9-6_1_1 |
|
−0.2 ± 0.2 |
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RUN963 | MIC-UNK-91acba05-6_1 |
|
amination-0000266_1_1 |
|
−0.2 ± 0.1 |
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RUN1306 | MIC-UNK-91acba05-6_1 |
|
amination-0000540_1_1 |
|
−0.2 ± 0.5 |
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RUN3061 | MIC-UNK-91acba05-6_1 |
|
amination-0002029_1_1 |
|
−0.2 ± 0.2 |
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RUN1461 | MIC-UNK-91acba05-6_1 |
|
amination-0000673_1_1 |
|
−0.2 ± 0.3 |
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RUN1300 | MIC-UNK-91acba05-6_1 |
|
amination-0000533_1_1 |
|
−0.2 ± 0.5 |
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RUN1296 | MIC-UNK-91acba05-6_1 |
|
amination-0000519_1_1 |
|
−0.2 ± 0.5 |
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RUN2086 | MIC-UNK-91acba05-6_1 |
|
amination-0001224_1_1 |
|
−0.2 ± 0.4 |
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RUN820 | MIC-UNK-91acba05-6_1 |
|
amination-0000113_1_1 |
|
−0.2 ± 0.4 |
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RUN2135 | MIC-UNK-91acba05-6_1 |
|
amination-0001289_1_1 |
|
−0.2 ± 0.3 |
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RUN751 | MIC-UNK-91acba05-6_1 |
|
amination-0000096_1_1 |
|
−0.2 ± 0.5 |
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||||
RUN1495 | MIC-UNK-91acba05-6_1 |
|
amination-0000724_1_1 |
|
−0.2 ± 0.3 |
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RUN3019 | MIC-UNK-91acba05-6_1 |
|
amination-0002018_1_1 |
|
−0.2 ± 0.3 |
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||||
RUN272 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-30_1_1 |
|
−0.2 ± 0.1 |
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||||
RUN2613 | MIC-UNK-91acba05-6_1 |
|
amination-0001710_1_1 |
|
−0.2 ± 0.3 |
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RUN690 | MIC-UNK-91acba05-6_1 |
|
amination-0000068_1_1 |
|
−0.18 ± 0.10 |
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||||
RUN991 | MIC-UNK-91acba05-6_1 |
|
amination-0000270_1_1 |
|
−0.2 ± 0.3 |
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||||
RUN765 | MIC-UNK-91acba05-6_1 |
|
amination-0000121_1_1 |
|
−0.2 ± 0.3 |
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||||
RUN783 | MIC-UNK-91acba05-6_1 |
|
amination-0000137_1_1 |
|
−0.2 ± 0.3 |
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||||
RUN2244 | MIC-UNK-91acba05-6_1 |
|
amination-0001405_1_1 |
|
−0.2 ± 0.5 |
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||||
RUN764 | MIC-UNK-91acba05-6_1 |
|
amination-0000099_1_1 |
|
−0.2 ± 0.3 |
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||||
RUN1249 | MIC-UNK-91acba05-6_1 |
|
amination-0000467_1_1 |
|
−0.2 ± 0.6 |
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||||
RUN1203 | MIC-UNK-91acba05-6_1 |
|
amination-0000459_1_1 |
|
−0.2 ± 0.2 |
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||||
RUN1393 | MIC-UNK-91acba05-6_1 |
|
amination-0000651_1_1 |
|
−0.2 ± 0.4 |
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||||
RUN964 | MIC-UNK-91acba05-6_1 |
|
amination-0000268_1_1 |
|
−0.2 ± 0.2 |
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||||
RUN1432 | MIC-UNK-91acba05-6_1 |
|
amination-0000677_1_1 |
|
−0.2 ± 0.5 |
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||||
RUN921 | MIC-UNK-91acba05-6_1 |
|
amination-0000213_1_1 |
|
−0.2 ± 0.4 |
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||||
RUN2978 | MIC-UNK-91acba05-6_1 |
|
amination-0001994_1_1 |
|
−0.2 ± 0.2 |
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||||
RUN776 | MIC-UNK-91acba05-6_1 |
|
amination-0000100_1_1 |
|
−0.2 ± 0.3 |
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||||
RUN1492 | MIC-UNK-91acba05-6_1 |
|
amination-0000720_1_1 |
|
−0.2 ± 0.2 |
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||||
RUN1230 | MIC-UNK-91acba05-6_1 |
|
amination-0000485_1_1 |
|
−0.2 ± 0.4 |
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||||
RUN2778 | MIC-UNK-91acba05-6_1 |
|
amination-0001841_1_1 |
|
−0.2 ± 0.1 |
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||||
RUN2670 | MIC-UNK-91acba05-6_1 |
|
amination-0001754_1_1 |
|
−0.2 ± 0.5 |
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RUN1182 | MIC-UNK-91acba05-6_1 |
|
amination-0000387_1_1 |
|
−0.2 ± 0.6 |
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||||
RUN895 | MIC-UNK-91acba05-6_1 |
|
amination-0000181_1_1 |
|
−0.2 ± 0.2 |
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||||
RUN1437 | MIC-UNK-91acba05-6_1 |
|
amination-0000665_1_1 |
|
−0.2 ± 0.4 |
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||||
RUN1527 | MIC-UNK-91acba05-6_1 |
|
amination-0000767_1_1 |
|
−0.1 ± 0.2 |
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||||
RUN711 | MIC-UNK-91acba05-6_1 |
|
amination-0000063_1_1 |
|
−0.1 ± 0.4 |
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||||
RUN2677 | MIC-UNK-91acba05-6_1 |
|
amination-0001762_1_1 |
|
−0.1 ± 0.2 |
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||||
RUN1572 | MIC-UNK-91acba05-6_1 |
|
amination-0000765_1_1 |
|
−0.1 ± 0.5 |
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||||
RUN2676 | MIC-UNK-91acba05-6_1 |
|
amination-0001777_1_1 |
|
−0.1 ± 0.2 |
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||||
RUN196 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-8416115c-13_1_2 |
|
−0.1 ± 0.3 |
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||||
RUN1003 | MIC-UNK-91acba05-6_1 |
|
amination-0000290_1_1 |
|
−0.1 ± 0.3 |
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||||
RUN204 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-4aa06b95-5_1_1 |
|
−0.1 ± 0.1 |
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||||
RUN2603 | MIC-UNK-91acba05-6_1 |
|
amination-0001688_1_1 |
|
−0.1 ± 0.5 |
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||||
RUN468 | MIC-UNK-91acba05-6_1 |
|
KAD-UNI-877d7bed-13_1_1 |
|
−0.1 ± 0.3 |
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||||
RUN2053 | MIC-UNK-91acba05-6_1 |
|
amination-0001231_1_1 |
|
−0.1 ± 0.4 |
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||||
RUN685 | MIC-UNK-91acba05-6_1 |
|
amination-0000032_1_1 |
|
−0.12 ± 0.09 |
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||||
RUN2696 | MIC-UNK-91acba05-6_1 |
|
amination-0001776_1_1 |
|
−0.12 ± 0.09 |
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||||
RUN1511 | MIC-UNK-91acba05-6_1 |
|
amination-0000751_1_1 |
|
−0.1 ± 0.1 |
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||||
RUN1909 | MIC-UNK-91acba05-6_1 |
|
amination-0001118_1_1 |
|
−0.1 ± 0.4 |
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||||
RUN2749 | MIC-UNK-91acba05-6_1 |
|
amination-0001799_1_1 |
|
−0.11 ± 0.07 |
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||||
RUN907 | MIC-UNK-91acba05-6_1 |
|
amination-0000226_1_1 |
|
−0.1 ± 0.3 |
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||||
RUN103 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-7_1_1 |
|
−0.1 ± 0.3 |
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||||
RUN1164 | MIC-UNK-91acba05-6_1 |
|
amination-0000397_1_1 |
|
−0.1 ± 0.2 |
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||||
RUN1070 | MIC-UNK-91acba05-6_1 |
|
amination-0000355_1_1 |
|
−0.1 ± 0.4 |
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||||
RUN987 | MIC-UNK-91acba05-6_1 |
|
amination-0000283_1_1 |
|
−0.1 ± 0.4 |
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||||
RUN2938 | MIC-UNK-91acba05-6_1 |
|
amination-0001969_1_1 |
|
−0.1 ± 0.3 |
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||||
RUN151 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-c11c1343-1_1_1 |
|
−0.1 ± 0.1 |
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