| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1226 | MIC-UNK-91acba05-6_1 |  | amination-0000460_1_1 |  | −1.7 ± 0.3 |   |   | ||||
| RUN54 | MIC-UNK-91acba05-6_1 |  | VLA-UCB-50c39ae8-6_1_1 |  | −1.7 ± 0.4 |   |   | ||||
| RUN2712 | MIC-UNK-91acba05-6_1 |  | amination-0001768_1_1 |  | −1.7 ± 0.3 |   |   | ||||
| RUN2493 | MIC-UNK-91acba05-6_1 |  | amination-0001632_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN2263 | MIC-UNK-91acba05-6_1 |  | amination-0001398_1_1 |  | −1.6 ± 0.5 |   |   | ||||
| RUN888 | MIC-UNK-91acba05-6_1 |  | amination-0000212_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN445 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-4987d2cd-1_1_2 |  | −1.6 ± 0.3 |   |   | ||||
| RUN2393 | MIC-UNK-91acba05-6_1 |  | amination-0001526_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN3036 | MIC-UNK-91acba05-6_1 |  | amination-0002013_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN951 | MIC-UNK-91acba05-6_1 |  | amination-0000257_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN545 | MIC-UNK-91acba05-6_1 |  | MAT-POS-4223bc15-37_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN209 | MIC-UNK-91acba05-6_1 |  | RAL-THA-8416115c-8_1_2 |  | −1.6 ± 0.3 |   |   | ||||
| RUN2160 | MIC-UNK-91acba05-6_1 |  | amination-0001260_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN1176 | MIC-UNK-91acba05-6_1 |  | amination-0000410_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN616 | MIC-UNK-91acba05-6_1 |  | ALP-POS-82da25a3-2_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN1485 | MIC-UNK-91acba05-6_1 |  | amination-0000735_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN94 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-0d514e7d-16_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN282 | MIC-UNK-91acba05-6_1 |  | MAT-POS-f9802937-7_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN114 | MIC-UNK-91acba05-6_1 |  | JOH-SUS-a69c159d-5_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN120 | MIC-UNK-91acba05-6_1 |  | JOH-UNI-f51e3bbc-2_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN718 | MIC-UNK-91acba05-6_1 |  | amination-0000043_1_1 |  | −1.6 ± 0.1 |   |   | ||||
| RUN670 | MIC-UNK-91acba05-6_1 |  | amination-0000040_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN2954 | MIC-UNK-91acba05-6_1 |  | amination-0001965_1_1 |  | −1.6 ± 0.1 |   |   | ||||
| RUN2333 | MIC-UNK-91acba05-6_1 |  | amination-0001474_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN1837 | MIC-UNK-91acba05-6_1 |  | amination-0001006_1_1 |  | −1.6 ± 0.5 |   |   | ||||
| RUN2291 | MIC-UNK-91acba05-6_1 |  | amination-0001404_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN1055 | MIC-UNK-91acba05-6_1 |  | amination-0000301_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN1048 | MIC-UNK-91acba05-6_1 |  | amination-0000332_1_1 |  | −1.6 ± 0.5 |   |   | ||||
| RUN620 | MIC-UNK-91acba05-6_1 |  | EDJ-MED-1981ceba-2_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN1552 | MIC-UNK-91acba05-6_1 |  | amination-0000726_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN2 | MIC-UNK-91acba05-6_1 |  | MAT-POS-8a69d52e-4_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN1488 | MIC-UNK-91acba05-6_1 |  | amination-0000712_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN323 | MIC-UNK-91acba05-6_1 |  | ALP-POS-fe871b40-16_1_1 |  | −1.6 ± 0.6 |   |   | ||||
| RUN2648 | MIC-UNK-91acba05-6_1 |  | amination-0001735_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN998 | MIC-UNK-91acba05-6_1 |  | amination-0000300_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN348 | MIC-UNK-91acba05-6_1 |  | EDJ-MED-611d11e7-3_1_1 |  | −1.6 ± 0.5 |   |   | ||||
| RUN363 | MIC-UNK-91acba05-6_1 |  | ALP-UNI-8d415491-5_1_1 |  | −1.6 ± 0.9 |   |   | ||||
| RUN203 | MIC-UNK-91acba05-6_1 |  | RAL-THA-8416115c-12_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN910 | MIC-UNK-91acba05-6_1 |  | amination-0000193_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN86 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-23e5a6a0-3_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN837 | MIC-UNK-91acba05-6_1 |  | amination-0000195_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN2553 | MIC-UNK-91acba05-6_1 |  | amination-0001665_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN504 | MIC-UNK-91acba05-6_1 |  | ROB-UNI-8bf7c232-1_1_1 |  | −1.6 ± 0.5 |   |   | ||||
| RUN1547 | MIC-UNK-91acba05-6_1 |  | amination-0000764_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN2548 | MIC-UNK-91acba05-6_1 |  | amination-0001622_1_1 |  | −1.6 ± 0.4 |   |   | ||||
| RUN1614 | MIC-UNK-91acba05-6_1 |  | amination-0000854_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN719 | MIC-UNK-91acba05-6_1 |  | amination-0000076_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN841 | MIC-UNK-91acba05-6_1 |  | amination-0000172_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN491 | MIC-UNK-91acba05-6_1 |  | EDJ-MED-009f762b-2_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN3067 | MIC-UNK-91acba05-6_1 |  | amination-0002055_1_1 |  | −1.6 ± 0.5 |   |   | ||||
| RUN84 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-23e5a6a0-5_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN1557 | MIC-UNK-91acba05-6_1 |  | amination-0000817_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN520 | MIC-UNK-91acba05-6_1 |  | MAT-POS-4223bc15-4_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN642 | MIC-UNK-91acba05-6_1 |  | EDJ-MED-c82a5324-2_1_1 |  | −1.6 ± 0.3 |   |   | ||||
| RUN205 | MIC-UNK-91acba05-6_1 |  | BEN-DND-a7517465-2_1_1 |  | −1.6 ± 0.1 |   |   | ||||
| RUN60 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-23e5a6a0-9_1_1 |  | −1.6 ± 0.2 |   |   | ||||
| RUN30 | MIC-UNK-91acba05-6_1 |  | MAK-UNK-8be7dca9-7_1_1 |  | −1.6 ± 0.5 |   |   | ||||
| RUN634 | MIC-UNK-91acba05-6_1 |  | amination-0000008_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN473 | MIC-UNK-91acba05-6_1 |  | MAT-POS-4223bc15-6_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN1309 | MIC-UNK-91acba05-6_1 |  | amination-0000552_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN437 | MIC-UNK-91acba05-6_1 |  | MAT-POS-96f51285-5_1_1 |  | −1.5 ± 0.6 |   |   | ||||
| RUN2345 | MIC-UNK-91acba05-6_1 |  | amination-0001489_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN1222 | MIC-UNK-91acba05-6_1 |  | amination-0000488_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN2323 | MIC-UNK-91acba05-6_1 |  | amination-0001452_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN2557 | MIC-UNK-91acba05-6_1 |  | amination-0001627_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN1168 | MIC-UNK-91acba05-6_1 |  | amination-0000393_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN127 | MIC-UNK-91acba05-6_1 |  | JOH-SUS-a69c159d-7_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN2641 | MIC-UNK-91acba05-6_1 |  | amination-0001750_1_1 |  | −1.5 ± 0.6 |   |   | ||||
| RUN2477 | MIC-UNK-91acba05-6_1 |  | amination-0001604_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN645 | MIC-UNK-91acba05-6_1 |  | MAT-POS-dc2604c4-3_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN2107 | MIC-UNK-91acba05-6_1 |  | amination-0001272_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN2301 | MIC-UNK-91acba05-6_1 |  | amination-0001424_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN2450 | MIC-UNK-91acba05-6_1 |  | amination-0001577_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN1354 | MIC-UNK-91acba05-6_1 |  | amination-0000596_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN2515 | MIC-UNK-91acba05-6_1 |  | amination-0001630_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN239 | MIC-UNK-91acba05-6_1 |  | LAU-MED-88a3970a-1_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN1117 | MIC-UNK-91acba05-6_1 |  | amination-0000407_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN328 | MIC-UNK-91acba05-6_1 |  | VLA-UNK-5c5a631c-2_1_1 |  | −1.5 ± 0.5 |   |   | ||||
| RUN1005 | MIC-UNK-91acba05-6_1 |  | amination-0000286_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN81 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-23e5a6a0-8_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN104 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-0d514e7d-33_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN246 | MIC-UNK-91acba05-6_1 |  | RAL-THA-05e671eb-16_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN133 | MIC-UNK-91acba05-6_1 |  | VLA-UCB-34f3ed0c-20_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN10 | MIC-UNK-91acba05-6_1 |  | MAT-POS-b3e365b9-1_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN2349 | MIC-UNK-91acba05-6_1 |  | amination-0001495_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN207 | MIC-UNK-91acba05-6_1 |  | DAR-DIA-5ff57136-11_1_1 |  | −1.5 ± 0.1 |   |   | ||||
| RUN2488 | MIC-UNK-91acba05-6_1 |  | amination-0001614_1_1 |  | −1.5 ± 0.4 |   |   | ||||
| RUN392 | MIC-UNK-91acba05-6_1 |  | NIR-THE-5be8b355-1_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN2597 | MIC-UNK-91acba05-6_1 |  | amination-0001675_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN2381 | MIC-UNK-91acba05-6_1 |  | amination-0001536_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN1349 | MIC-UNK-91acba05-6_1 |  | amination-0000614_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN450 | MIC-UNK-91acba05-6_1 |  | MAT-POS-96f51285-6_1_1 |  | −1.5 ± 0.5 |   |   | ||||
| RUN594 | MIC-UNK-91acba05-6_1 |  | MAT-POS-61f37a1a-5_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN667 | MIC-UNK-91acba05-6_1 |  | amination-0000027_1_1 |  | −1.5 ± 0.2 |   |   | ||||
| RUN1092 | MIC-UNK-91acba05-6_1 |  | amination-0000352_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN2602 | MIC-UNK-91acba05-6_1 |  | amination-0001687_1_1 |  | −1.5 ± 0.5 |   |   | ||||
| RUN1259 | MIC-UNK-91acba05-6_1 |  | amination-0000526_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN887 | MIC-UNK-91acba05-6_1 |  | amination-0000210_1_1 |  | −1.5 ± 0.3 |   |   | ||||
| RUN2888 | MIC-UNK-91acba05-6_1 |  | amination-0001908_1_1 |  | −1.5 ± 0.1 |   |   | ||||
| RUN1276 | MIC-UNK-91acba05-6_1 |  | amination-0000543_1_1 |  | −1.5 ± 0.3 |   |   | ||||