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