| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1455 | MIC-UNK-91acba05-6_1 |  | amination-0000655_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN1001 | MIC-UNK-91acba05-6_1 |  | amination-0000294_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN733 | MIC-UNK-91acba05-6_1 |  | amination-0000071_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN2451 | MIC-UNK-91acba05-6_1 |  | amination-0001589_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN259 | MIC-UNK-91acba05-6_1 |  | LAU-MED-88a3970a-3_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN517 | MIC-UNK-91acba05-6_1 |  | MAT-POS-4223bc15-35_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN625 | MIC-UNK-91acba05-6_1 |  | EDJ-MED-1981ceba-1_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN787 | MIC-UNK-91acba05-6_1 |  | amination-0000137_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN542 | MIC-UNK-91acba05-6_1 |  | BEN-DND-d1eb1f41-3_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN2458 | MIC-UNK-91acba05-6_1 |  | amination-0001575_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN1250 | MIC-UNK-91acba05-6_1 |  | amination-0000518_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN745 | MIC-UNK-91acba05-6_1 |  | amination-0000079_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN909 | MIC-UNK-91acba05-6_1 |  | amination-0000202_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN550 | MIC-UNK-91acba05-6_1 |  | PET-UNK-9b23ef84-10_1_2 |  | −1.5 ± 0.3 |   |   | ||||
| RUN2500 | MIC-UNK-91acba05-6_1 |  | amination-0001608_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN1134 | MIC-UNK-91acba05-6_1 |  | amination-0000378_1_1 |  | −1.4 ± 0.5 |   |   | ||||
| RUN292 | MIC-UNK-91acba05-6_1 |  | ALF-EVA-5b152d2f-5_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN1517 | MIC-UNK-91acba05-6_1 |  | amination-0000740_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN298 | MIC-UNK-91acba05-6_1 |  | VLA-UNK-9a7dc93f-3_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN1004 | MIC-UNK-91acba05-6_1 |  | amination-0000300_1_1 |  | −1.4 ± 0.5 |   |   | ||||
| RUN1805 | MIC-UNK-91acba05-6_1 |  | amination-0000996_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN657 | MIC-UNK-91acba05-6_1 |  | EDJ-MED-1981ceba-5_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN1336 | MIC-UNK-91acba05-6_1 |  | amination-0000591_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN357 | MIC-UNK-91acba05-6_1 |  | EDJ-MED-611d11e7-6_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN609 | MIC-UNK-91acba05-6_1 |  | MAT-POS-61f37a1a-13_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN402 | MIC-UNK-91acba05-6_1 |  | BEN-DND-a02b439d-3_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN1091 | MIC-UNK-91acba05-6_1 |  | amination-0000384_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN1382 | MIC-UNK-91acba05-6_1 |  | amination-0000634_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN702 | MIC-UNK-91acba05-6_1 |  | amination-0000055_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN638 | MIC-UNK-91acba05-6_1 |  | amination-0000011_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN355 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-9e4459de-11_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN1604 | MIC-UNK-91acba05-6_1 |  | amination-0000827_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN773 | MIC-UNK-91acba05-6_1 |  | amination-0000109_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN1576 | MIC-UNK-91acba05-6_1 |  | amination-0000810_1_1 |  | −1.4 ± 0.6 |   |   | ||||
| RUN2341 | MIC-UNK-91acba05-6_1 |  | amination-0001503_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN2094 | MIC-UNK-91acba05-6_1 |  | amination-0001251_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN1199 | MIC-UNK-91acba05-6_1 |  | amination-0000489_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN1315 | MIC-UNK-91acba05-6_1 |  | amination-0000553_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN1500 | MIC-UNK-91acba05-6_1 |  | amination-0000752_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN1030 | MIC-UNK-91acba05-6_1 |  | amination-0000318_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN372 | MIC-UNK-91acba05-6_1 |  | BEN-DND-a02b439d-15_1_1 |  | −1.4 ± 0.5 |   |   | ||||
| RUN575 | MIC-UNK-91acba05-6_1 |  | JAG-UCB-571deb56-1_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN2104 | MIC-UNK-91acba05-6_1 |  | amination-0001281_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN914 | MIC-UNK-91acba05-6_1 |  | amination-0000237_1_1 |  | −1.4 ± 0.5 |   |   | ||||
| RUN515 | MIC-UNK-91acba05-6_1 |  | RAL-THA-b00e3cbf-1_1_1 |  | −1.4 ± 0.6 |   |   | ||||
| RUN1097 | MIC-UNK-91acba05-6_1 |  | amination-0000361_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN2902 | MIC-UNK-91acba05-6_1 |  | amination-0001938_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN2179 | MIC-UNK-91acba05-6_1 |  | amination-0001345_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN897 | MIC-UNK-91acba05-6_1 |  | amination-0000199_1_1 |  | −1.4 ± 0.5 |   |   | ||||
| RUN217 | MIC-UNK-91acba05-6_1 |  | EDJ-MED-a6bd50ad-1_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN2121 | MIC-UNK-91acba05-6_1 |  | amination-0001261_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN2151 | MIC-UNK-91acba05-6_1 |  | amination-0001301_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN2240 | MIC-UNK-91acba05-6_1 |  | amination-0001415_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN2388 | MIC-UNK-91acba05-6_1 |  | amination-0001543_1_1 |  | −1.4 ± 0.5 |   |   | ||||
| RUN1584 | MIC-UNK-91acba05-6_1 |  | amination-0000802_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN371 | MIC-UNK-91acba05-6_1 |  | BEN-DND-a02b439d-1_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN1034 | MIC-UNK-91acba05-6_1 |  | amination-0000324_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN994 | MIC-UNK-91acba05-6_1 |  | amination-0000250_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN1350 | MIC-UNK-91acba05-6_1 |  | amination-0000554_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN859 | MIC-UNK-91acba05-6_1 |  | amination-0000161_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN2673 | MIC-UNK-91acba05-6_1 |  | amination-0001764_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN608 | MIC-UNK-91acba05-6_1 |  | ERI-UCB-8d4e5055-6_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN2465 | MIC-UNK-91acba05-6_1 |  | amination-0001606_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN1311 | MIC-UNK-91acba05-6_1 |  | amination-0000581_1_1 |  | −1.4 ± 0.2 |   |   | ||||
| RUN1144 | MIC-UNK-91acba05-6_1 |  | amination-0000421_1_1 |  | −1.4 ± 0.3 |   |   | ||||
| RUN2559 | MIC-UNK-91acba05-6_1 |  | amination-0001682_1_1 |  | −1.4 ± 0.4 |   |   | ||||
| RUN2504 | MIC-UNK-91acba05-6_1 |  | amination-0001598_1_1 |  | −1.3 ± 0.4 |   |   | ||||
| RUN2191 | MIC-UNK-91acba05-6_1 |  | amination-0001313_1_1 |  | −1.3 ± 0.4 |   |   | ||||
| RUN1907 | MIC-UNK-91acba05-6_1 |  | amination-0001107_1_1 |  | −1.3 ± 0.5 |   |   | ||||
| RUN1378 | MIC-UNK-91acba05-6_1 |  | amination-0000615_1_1 |  | −1.3 ± 0.5 |   |   | ||||
| RUN2218 | MIC-UNK-91acba05-6_1 |  | amination-0001358_1_1 |  | −1.3 ± 0.5 |   |   | ||||
| RUN2624 | MIC-UNK-91acba05-6_1 |  | amination-0001716_1_1 |  | −1.3 ± 0.5 |   |   | ||||
| RUN193 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-5ff57136-1_1_1 |  | −1.3 ± 0.1 |   |   | ||||
| RUN2944 | MIC-UNK-91acba05-6_1 |  | amination-0001961_1_1 |  | −1.33 ± 0.06 |   |   | ||||
| RUN255 | MIC-UNK-91acba05-6_1 |  | RAL-THA-05e671eb-36_1_1 |  | −1.3 ± 0.6 |   |   | ||||
| RUN510 | MIC-UNK-91acba05-6_1 |  | MAT-POS-4223bc15-9_1_1 |  | −1.3 ± 0.3 |   |   | ||||
| RUN2588 | MIC-UNK-91acba05-6_1 |  | amination-0001672_1_1 |  | −1.3 ± 0.4 |   |   | ||||
| RUN2928 | MIC-UNK-91acba05-6_1 |  | amination-0001957_1_1 |  | −1.3 ± 0.2 |   |   | ||||
| RUN458 | MIC-UNK-91acba05-6_1 |  | KAD-UNI-877d7bed-19_1_1 |  | −1.3 ± 0.3 |   |   | ||||
| RUN172 | MIC-UNK-91acba05-6_1 |  | RAL-THA-4aa06b95-6_1_1 |  | −1.3 ± 0.1 |   |   | ||||
| RUN489 | MIC-UNK-91acba05-6_1 |  | MAT-POS-4223bc15-32_1_1 |  | −1.3 ± 0.3 |   |   | ||||
| RUN225 | MIC-UNK-91acba05-6_1 |  | RAL-THA-8416115c-10_1_2 |  | −1.3 ± 0.3 |   |   | ||||
| RUN2946 | MIC-UNK-91acba05-6_1 |  | amination-0001939_1_1 |  | −1.3 ± 0.4 |   |   | ||||
| RUN1166 | MIC-UNK-91acba05-6_1 |  | amination-0000444_1_1 |  | −1.3 ± 0.3 |   |   | ||||
| RUN1877 | MIC-UNK-91acba05-6_1 |  | amination-0001043_1_1 |  | −1.3 ± 0.4 |   |   | ||||
| RUN2442 | MIC-UNK-91acba05-6_1 |  | amination-0001597_1_1 |  | −1.3 ± 0.4 |   |   | ||||
| RUN49 | MIC-UNK-91acba05-6_1 |  | ADA-UCB-dc2b944c-15_1_1 |  | −1.3 ± 0.2 |   |   | ||||
| RUN31 | MIC-UNK-91acba05-6_1 |  | MIC-UNK-91acba05-4_1_1 |  | −1.3 ± 0.4 |   |   | ||||
| RUN3055 | MIC-UNK-91acba05-6_1 |  | amination-0002039_1_1 |  | −1.3 ± 0.3 |   |   | ||||
| RUN706 | MIC-UNK-91acba05-6_1 |  | amination-0000040_1_1 |  | −1.3 ± 0.2 |   |   | ||||
| RUN493 | MIC-UNK-91acba05-6_1 |  | MAT-POS-4223bc15-17_1_1 |  | −1.3 ± 0.4 |   |   | ||||
| RUN240 | MIC-UNK-91acba05-6_1 |  | MAK-UNK-83e0a0b4-2_1_1 |  | −1.3 ± 0.2 |   |   | ||||
| RUN121 | MIC-UNK-91acba05-6_1 |  | JOH-UNI-f51e3bbc-3_1_1 |  | −1.3 ± 0.2 |   |   | ||||
| RUN2555 | MIC-UNK-91acba05-6_1 |  | amination-0001679_1_1 |  | −1.3 ± 0.4 |   |   | ||||
| RUN668 | MIC-UNK-91acba05-6_1 |  | amination-0000016_1_1 |  | −1.3 ± 0.3 |   |   | ||||