| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN53 | MIC-UNK-91acba05-6_1 |
|
ADA-UCB-dc2b944c-8_1_1 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN1071 | MIC-UNK-91acba05-6_1 |
|
amination-0000351_1_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN2491 | MIC-UNK-91acba05-6_1 |
|
amination-0001605_1_1 |
|
−2.3 ± 0.4 |
|
|
||||
| RUN488 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-13_1_1 |
|
−2.3 ± 0.4 |
|
|
||||
| RUN2963 | MIC-UNK-91acba05-6_1 |
|
amination-0001990_1_1 |
|
−2.3 ± 0.4 |
|
|
||||
| RUN119 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-14_1_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN2828 | MIC-UNK-91acba05-6_1 |
|
amination-0001859_1_1 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN175 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-4aa06b95-7_1_1 |
|
−2.3 ± 0.1 |
|
|
||||
| RUN710 | MIC-UNK-91acba05-6_1 |
|
amination-0000080_1_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN882 | MIC-UNK-91acba05-6_1 |
|
amination-0000220_1_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN1274 | MIC-UNK-91acba05-6_1 |
|
amination-0000542_1_1 |
|
−2.3 ± 0.4 |
|
|
||||
| RUN289 | MIC-UNK-91acba05-6_1 |
|
ROB-UNI-322e8f70-1_1_1 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN2703 | MIC-UNK-91acba05-6_1 |
|
amination-0001767_1_1 |
|
−2.3 ± 0.1 |
|
|
||||
| RUN1448 | MIC-UNK-91acba05-6_1 |
|
amination-0000648_1_1 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN611 | MIC-UNK-91acba05-6_1 |
|
ALF-EVA-82cf4849-2_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN2805 | MIC-UNK-91acba05-6_1 |
|
amination-0001861_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN271 | MIC-UNK-91acba05-6_1 |
|
LAU-MED-88a3970a-11_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN229 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-4_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN1024 | MIC-UNK-91acba05-6_1 |
|
amination-0000325_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN212 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-ce760d3f-1_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN1384 | MIC-UNK-91acba05-6_1 |
|
amination-0000607_1_1 |
|
−2.2 ± 0.5 |
|
|
||||
| RUN636 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-1981ceba-4_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN2426 | MIC-UNK-91acba05-6_1 |
|
amination-0001569_1_1 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN395 | MIC-UNK-91acba05-6_1 |
|
BEN-DND-a02b439d-10_1_1 |
|
−2.2 ± 0.6 |
|
|
||||
| RUN2090 | MIC-UNK-91acba05-6_1 |
|
amination-0001217_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN2475 | MIC-UNK-91acba05-6_1 |
|
amination-0001574_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN2881 | MIC-UNK-91acba05-6_1 |
|
amination-0001921_1_1 |
|
−2.2 ± 0.1 |
|
|
||||
| RUN2669 | MIC-UNK-91acba05-6_1 |
|
amination-0001726_1_1 |
|
−2.2 ± 0.6 |
|
|
||||
| RUN2535 | MIC-UNK-91acba05-6_1 |
|
amination-0001660_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN2856 | MIC-UNK-91acba05-6_1 |
|
amination-0001885_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN98 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-23e5a6a0-2_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN2077 | MIC-UNK-91acba05-6_1 |
|
amination-0001214_1_1 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN2129 | MIC-UNK-91acba05-6_1 |
|
amination-0001254_1_1 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN618 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-82da25a3-1_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN1706 | MIC-UNK-91acba05-6_1 |
|
amination-0000936_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN694 | MIC-UNK-91acba05-6_1 |
|
amination-0000039_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN568 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-a577c8a2-1_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN370 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-dd3ad2b5-4_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN1459 | MIC-UNK-91acba05-6_1 |
|
amination-0000656_1_1 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN1220 | MIC-UNK-91acba05-6_1 |
|
amination-0000474_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN87 | MIC-UNK-91acba05-6_1 |
|
ALP-UNI-b33a865d-1_1_1 |
|
−2.2 ± 0.1 |
|
|
||||
| RUN662 | MIC-UNK-91acba05-6_1 |
|
amination-0000026_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN780 | MIC-UNK-91acba05-6_1 |
|
amination-0000122_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN901 | MIC-UNK-91acba05-6_1 |
|
amination-0000190_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN760 | MIC-UNK-91acba05-6_1 |
|
amination-0000088_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN1241 | MIC-UNK-91acba05-6_1 |
|
amination-0000516_1_1 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN846 | MIC-UNK-91acba05-6_1 |
|
amination-0000175_1_1 |
|
−2.2 ± 0.2 |
|
|
||||
| RUN896 | MIC-UNK-91acba05-6_1 |
|
amination-0000212_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN851 | MIC-UNK-91acba05-6_1 |
|
amination-0000172_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN1490 | MIC-UNK-91acba05-6_1 |
|
amination-0000717_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN606 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-cf877e1d-1_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN564 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-e6e0c683-4_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN840 | MIC-UNK-91acba05-6_1 |
|
amination-0000143_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN295 | MIC-UNK-91acba05-6_1 |
|
ALP-UNI-ba800595-1_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN2785 | MIC-UNK-91acba05-6_1 |
|
amination-0001846_1_1 |
|
−2.1 ± 0.1 |
|
|
||||
| RUN1110 | MIC-UNK-91acba05-6_1 |
|
amination-0000362_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN2964 | MIC-UNK-91acba05-6_1 |
|
amination-0001981_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN400 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0587064e-19_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN2590 | MIC-UNK-91acba05-6_1 |
|
amination-0001693_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN1670 | MIC-UNK-91acba05-6_1 |
|
amination-0000880_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN2660 | MIC-UNK-91acba05-6_1 |
|
amination-0001749_1_1 |
|
−2.1 ± 0.5 |
|
|
||||
| RUN2282 | MIC-UNK-91acba05-6_1 |
|
amination-0001419_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN1101 | MIC-UNK-91acba05-6_1 |
|
amination-0000395_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN77 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-23e5a6a0-9_1_1 |
|
−2.1 ± 0.5 |
|
|
||||
| RUN1422 | MIC-UNK-91acba05-6_1 |
|
amination-0000657_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN423 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-9e4459de-15_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN352 | MIC-UNK-91acba05-6_1 |
|
ALP-UNI-c3ef0aba-1_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN296 | MIC-UNK-91acba05-6_1 |
|
EDG-MED-5d232de5-6_1_2 |
|
−2.1 ± 0.5 |
|
|
||||
| RUN4 | MIC-UNK-91acba05-6_1 |
|
VLA-UCB-1dbca3b4-15_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN815 | MIC-UNK-91acba05-6_1 |
|
amination-0000115_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN1569 | MIC-UNK-91acba05-6_1 |
|
amination-0000758_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN2256 | MIC-UNK-91acba05-6_1 |
|
amination-0001372_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN421 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0587064e-21_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN307 | MIC-UNK-91acba05-6_1 |
|
ROB-UNI-322e8f70-2_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN478 | MIC-UNK-91acba05-6_1 |
|
KAD-UNI-877d7bed-1_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN663 | MIC-UNK-91acba05-6_1 |
|
amination-0000011_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN864 | MIC-UNK-91acba05-6_1 |
|
amination-0000169_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN671 | MIC-UNK-91acba05-6_1 |
|
amination-0000023_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN2084 | MIC-UNK-91acba05-6_1 |
|
amination-0001249_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN2352 | MIC-UNK-91acba05-6_1 |
|
amination-0001475_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN344 | MIC-UNK-91acba05-6_1 |
|
VLA-UNK-5c5a631c-1_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN993 | MIC-UNK-91acba05-6_1 |
|
amination-0000288_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN1593 | MIC-UNK-91acba05-6_1 |
|
amination-0000830_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN2522 | MIC-UNK-91acba05-6_1 |
|
amination-0001649_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN695 | MIC-UNK-91acba05-6_1 |
|
amination-0000037_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN245 | MIC-UNK-91acba05-6_1 |
|
MIC-UNK-08fa0751-1_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN2666 | MIC-UNK-91acba05-6_1 |
|
amination-0001763_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN118 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-24_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN1033 | MIC-UNK-91acba05-6_1 |
|
amination-0000289_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN1314 | MIC-UNK-91acba05-6_1 |
|
amination-0000532_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN2568 | MIC-UNK-91acba05-6_1 |
|
amination-0001674_1_1 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN2280 | MIC-UNK-91acba05-6_1 |
|
amination-0001435_1_1 |
|
−2.0 ± 0.5 |
|
|
||||
| RUN408 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-a0a4abd7-6_1_1 |
|
−2.0 ± 0.6 |
|
|
||||
| RUN253 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-22_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN235 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-8_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN1449 | MIC-UNK-91acba05-6_1 |
|
amination-0000705_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN956 | MIC-UNK-91acba05-6_1 |
|
amination-0000264_1_1 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN795 | MIC-UNK-91acba05-6_1 |
|
amination-0000106_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN798 | MIC-UNK-91acba05-6_1 |
|
amination-0000139_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN109 | MIC-UNK-91acba05-6_1 |
|
JOH-UNI-f51e3bbc-1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||