RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN2807 | MIC-UNK-91acba05-6_1 |
|
amination-0001851_1_1 |
|
−0.1 ± 0.2 |
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RUN1244 | MIC-UNK-91acba05-6_1 |
|
amination-0000479_1_1 |
|
−0.1 ± 0.4 |
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RUN3050 | MIC-UNK-91acba05-6_1 |
|
amination-0002046_1_1 |
|
−0.1 ± 0.2 |
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RUN587 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-1b5395f9-1_1_1 |
|
−0.1 ± 0.3 |
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RUN2404 | MIC-UNK-91acba05-6_1 |
|
amination-0001531_1_1 |
|
−0.1 ± 0.3 |
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RUN766 | MIC-UNK-91acba05-6_1 |
|
amination-0000092_1_1 |
|
−0.1 ± 0.5 |
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RUN889 | MIC-UNK-91acba05-6_1 |
|
amination-0000214_1_1 |
|
−0.1 ± 0.3 |
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RUN2372 | MIC-UNK-91acba05-6_1 |
|
amination-0001535_1_1 |
|
−0.1 ± 0.2 |
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RUN2376 | MIC-UNK-91acba05-6_1 |
|
amination-0001525_1_1 |
|
−0.1 ± 0.2 |
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RUN1022 | MIC-UNK-91acba05-6_1 |
|
amination-0000306_1_1 |
|
−0.1 ± 0.3 |
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RUN624 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-d61f3ea6-1_1_1 |
|
−0.1 ± 0.4 |
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RUN368 | MIC-UNK-91acba05-6_1 |
|
ALF-EVA-b701bd13-1_1_1 |
|
−0.1 ± 0.4 |
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RUN238 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-11_1_1 |
|
−0.1 ± 0.4 |
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RUN2552 | MIC-UNK-91acba05-6_1 |
|
amination-0001681_1_1 |
|
−0.1 ± 0.4 |
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RUN1171 | MIC-UNK-91acba05-6_1 |
|
amination-0000443_1_1 |
|
−0.1 ± 0.5 |
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RUN1447 | MIC-UNK-91acba05-6_1 |
|
amination-0000671_1_1 |
|
−0.1 ± 0.2 |
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RUN2350 | MIC-UNK-91acba05-6_1 |
|
amination-0001478_1_1 |
|
−0.1 ± 0.3 |
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||||
RUN1391 | MIC-UNK-91acba05-6_1 |
|
amination-0000632_1_1 |
|
−0.06 ± 0.05 |
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RUN188 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-8416115c-11_1_1 |
|
−0.1 ± 0.1 |
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RUN2689 | MIC-UNK-91acba05-6_1 |
|
amination-0001775_1_1 |
|
−0.05 ± 0.08 |
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RUN3023 | MIC-UNK-91acba05-6_1 |
|
amination-0002035_1_1 |
|
−0.1 ± 0.2 |
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RUN2296 | MIC-UNK-91acba05-6_1 |
|
amination-0001442_1_1 |
|
−0.1 ± 0.3 |
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RUN659 | MIC-UNK-91acba05-6_1 |
|
amination-0000028_1_1 |
|
−0.1 ± 0.3 |
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RUN2322 | MIC-UNK-91acba05-6_1 |
|
amination-0001464_1_1 |
|
−0.0 ± 0.3 |
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RUN1454 | MIC-UNK-91acba05-6_1 |
|
amination-0000692_1_1 |
|
−0.0 ± 0.3 |
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RUN1629 | MIC-UNK-91acba05-6_1 |
|
amination-0000860_1_1 |
|
−0.0 ± 0.2 |
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RUN195 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-966f8da6-1_1_2 |
|
−0.0 ± 0.1 |
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RUN2423 | MIC-UNK-91acba05-6_1 |
|
amination-0001548_1_1 |
|
−0.0 ± 0.3 |
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RUN1187 | MIC-UNK-91acba05-6_1 |
|
amination-0000446_1_1 |
|
−0.0 ± 0.2 |
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RUN1814 | MIC-UNK-91acba05-6_1 |
|
amination-0001004_1_1 |
|
−0.0 ± 0.5 |
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RUN1691 | MIC-UNK-91acba05-6_1 |
|
amination-0000877_1_1 |
|
−0.0 ± 0.5 |
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RUN2225 | MIC-UNK-91acba05-6_1 |
|
amination-0001374_1_1 |
|
−0.0 ± 0.4 |
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RUN2361 | MIC-UNK-91acba05-6_1 |
|
amination-0001498_1_1 |
|
−0.0 ± 0.3 |
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RUN2223 | MIC-UNK-91acba05-6_1 |
|
amination-0001357_1_1 |
|
−0.0 ± 0.4 |
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RUN591 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-61f37a1a-2_1_1 |
|
−0.0 ± 0.4 |
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RUN1599 | MIC-UNK-91acba05-6_1 |
|
amination-0000808_1_1 |
|
−0.0 ± 0.4 |
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RUN1376 | MIC-UNK-91acba05-6_1 |
|
amination-0000638_1_1 |
|
−0.0 ± 0.2 |
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RUN2417 | MIC-UNK-91acba05-6_1 |
|
amination-0001567_1_1 |
|
−0.0 ± 0.2 |
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RUN2701 | MIC-UNK-91acba05-6_1 |
|
amination-0001778_1_1 |
|
−0.0 ± 0.3 |
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RUN3000 | MIC-UNK-91acba05-6_1 |
|
amination-0001990_1_1 |
|
−0.0 ± 0.3 |
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RUN19 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-8a69d52e-1_1_1 |
|
−0.02 ± 0.09 |
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RUN805 | MIC-UNK-91acba05-6_1 |
|
amination-0000141_1_1 |
|
−0.0 ± 0.3 |
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RUN954 | MIC-UNK-91acba05-6_1 |
|
amination-0000263_1_1 |
|
−0.0 ± 0.3 |
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RUN412 | MIC-UNK-91acba05-6_1 |
|
VLA-UNK-8e76d113-2_1_1 |
|
−0.0 ± 0.4 |
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RUN1119 | MIC-UNK-91acba05-6_1 |
|
amination-0000366_1_1 |
|
−0.0 ± 0.3 |
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RUN1766 | MIC-UNK-91acba05-6_1 |
|
amination-0000960_1_1 |
|
−0.0 ± 0.5 |
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RUN2882 | MIC-UNK-91acba05-6_1 |
|
amination-0001913_1_1 |
|
−0.0 ± 0.2 |
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RUN2687 | MIC-UNK-91acba05-6_1 |
|
amination-0001770_1_1 |
|
−0.00 ± 0.01 |
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RUN2979 | MIC-UNK-91acba05-6_1 |
|
amination-0001992_1_1 |
|
−0.00 ± 0.02 |
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RUN826 | MIC-UNK-91acba05-6_1 |
|
amination-0000163_1_1 |
|
−0.0 ± 0.2 |
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RUN1648 | MIC-UNK-91acba05-6_1 |
|
amination-0000843_1_1 |
|
−0.0 ± 0.7 |
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RUN945 | MIC-UNK-91acba05-6_1 |
|
amination-0000223_1_1 |
|
0.0 ± 0.4 |
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RUN855 | MIC-UNK-91acba05-6_1 |
|
amination-0000201_1_1 |
|
0.001 ± 0.004 |
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RUN756 | MIC-UNK-91acba05-6_1 |
|
amination-0000070_1_1 |
|
0.0 ± 0.1 |
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RUN838 | MIC-UNK-91acba05-6_1 |
|
amination-0000170_1_1 |
|
0.003 ± 0.008 |
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RUN2798 | MIC-UNK-91acba05-6_1 |
|
amination-0001840_1_1 |
|
0.0 ± 0.2 |
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RUN2731 | MIC-UNK-91acba05-6_1 |
|
amination-0001802_1_1 |
|
0.01 ± 0.02 |
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RUN2511 | MIC-UNK-91acba05-6_1 |
|
amination-0001621_1_1 |
|
0.0 ± 0.3 |
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RUN1947 | MIC-UNK-91acba05-6_1 |
|
amination-0001113_1_1 |
|
0.0 ± 0.5 |
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RUN747 | MIC-UNK-91acba05-6_1 |
|
amination-0000097_1_1 |
|
0.0 ± 0.2 |
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RUN1151 | MIC-UNK-91acba05-6_1 |
|
amination-0000430_1_1 |
|
0.0 ± 0.3 |
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||||
RUN2846 | MIC-UNK-91acba05-6_1 |
|
amination-0001871_1_1 |
|
0.0 ± 0.2 |
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RUN219 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-8416115c-10_1_1 |
|
0.0 ± 0.1 |
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RUN2391 | MIC-UNK-91acba05-6_1 |
|
amination-0001526_1_1 |
|
0.0 ± 0.3 |
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||||
RUN2036 | MIC-UNK-91acba05-6_1 |
|
amination-0001158_1_1 |
|
0.0 ± 0.4 |
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RUN757 | MIC-UNK-91acba05-6_1 |
|
amination-0000083_1_1 |
|
0.0 ± 0.3 |
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RUN233 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-05e671eb-12_1_1 |
|
0.0 ± 0.3 |
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||||
RUN2777 | MIC-UNK-91acba05-6_1 |
|
amination-0001821_1_1 |
|
0.0 ± 0.2 |
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||||
RUN143 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-8d5af1ef-1_1_1 |
|
0.0 ± 0.3 |
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RUN1754 | MIC-UNK-91acba05-6_1 |
|
amination-0000962_1_1 |
|
0.0 ± 0.6 |
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RUN3057 | MIC-UNK-91acba05-6_1 |
|
amination-0002047_1_1 |
|
0.0 ± 0.3 |
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RUN824 | MIC-UNK-91acba05-6_1 |
|
amination-0000153_1_1 |
|
0.0 ± 0.3 |
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||||
RUN744 | MIC-UNK-91acba05-6_1 |
|
amination-0000091_1_1 |
|
0.0 ± 0.3 |
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RUN2536 | MIC-UNK-91acba05-6_1 |
|
amination-0001650_1_1 |
|
0.0 ± 0.6 |
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RUN1355 | MIC-UNK-91acba05-6_1 |
|
amination-0000594_1_1 |
|
0.0 ± 0.4 |
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RUN2176 | MIC-UNK-91acba05-6_1 |
|
amination-0001314_1_1 |
|
0.0 ± 0.4 |
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RUN1610 | MIC-UNK-91acba05-6_1 |
|
amination-0000826_1_1 |
|
0.0 ± 0.7 |
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||||
RUN361 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0f2f46c9-13_1_1 |
|
0.0 ± 0.3 |
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RUN2848 | MIC-UNK-91acba05-6_1 |
|
amination-0001901_1_1 |
|
0.04 ± 0.07 |
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||||
RUN752 | MIC-UNK-91acba05-6_1 |
|
amination-0000077_1_1 |
|
0.0 ± 0.1 |
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RUN192 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-8416115c-7_1_2 |
|
0.0 ± 0.1 |
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||||
RUN2216 | MIC-UNK-91acba05-6_1 |
|
amination-0001363_1_1 |
|
0.0 ± 0.4 |
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RUN758 | MIC-UNK-91acba05-6_1 |
|
amination-0000084_1_1 |
|
0.0 ± 0.3 |
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RUN741 | MIC-UNK-91acba05-6_1 |
|
amination-0000059_1_1 |
|
0.0 ± 0.3 |
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RUN686 | MIC-UNK-91acba05-6_1 |
|
amination-0000006_1_1 |
|
0.0 ± 0.1 |
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||||
RUN5 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-f7918075-1_1_1 |
|
0.0 ± 0.1 |
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||||
RUN2837 | MIC-UNK-91acba05-6_1 |
|
amination-0001878_1_1 |
|
0.1 ± 0.2 |
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||||
RUN666 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-24589f88-16_1_1 |
|
0.1 ± 0.1 |
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||||
RUN1277 | MIC-UNK-91acba05-6_1 |
|
amination-0000521_1_1 |
|
0.1 ± 0.4 |
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||||
RUN1753 | MIC-UNK-91acba05-6_1 |
|
amination-0000963_1_1 |
|
0.1 ± 0.5 |
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