| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN8087 | MAT-POS-8a69d52e-7_1 |
|
EN300-196870_1_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN13769 | MAT-POS-8a69d52e-7_1 |
|
EN300-97055_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN5352 | MAT-POS-8a69d52e-7_1 |
|
EN300-77408_2_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN13655 | MAT-POS-8a69d52e-7_1 |
|
EN300-70489_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN2613 | MAT-POS-8a69d52e-7_1 |
|
EN300-123400_2_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN4256 | MAT-POS-8a69d52e-7_1 |
|
EN300-249086_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN8462 | MAT-POS-8a69d52e-7_1 |
|
EN300-305996_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN10653 | MAT-POS-8a69d52e-7_1 |
|
EN300-1709213_1_2 |
|
1.6 ± 0.2 |
|
|
||||
| RUN3873 | MAT-POS-8a69d52e-7_1 |
|
EN300-304981_1_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN3372 | MAT-POS-8a69d52e-7_1 |
|
EN300-2007620_2_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN6056 | MAT-POS-8a69d52e-7_1 |
|
EN300-743350_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN3149 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736649_1_3 |
|
1.6 ± 0.3 |
|
|
||||
| RUN6016 | MAT-POS-8a69d52e-7_1 |
|
EN300-398631_2_1 |
|
1.6 ± 0.7 |
|
|
||||
| RUN14687 | MAT-POS-8a69d52e-7_1 |
|
EN300-6474647_2_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN5948 | MAT-POS-8a69d52e-7_1 |
|
EN300-7440263_2_2 |
|
1.6 ± 0.2 |
|
|
||||
| RUN1567 | MAT-POS-8a69d52e-7_1 |
|
EN300-1212491_1_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN14601 | MAT-POS-8a69d52e-7_1 |
|
EN300-246486_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN4552 | MAT-POS-8a69d52e-7_1 |
|
EN300-1073068_2_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN15219 | MAT-POS-8a69d52e-7_1 |
|
EN300-7442191_3_1 |
|
1.6 ± 0.4 |
|
|
||||
| RUN14469 | MAT-POS-8a69d52e-7_1 |
|
EN300-95507_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN2030 | MAT-POS-8a69d52e-7_1 |
|
EN300-1212491_1_1 |
|
1.6 ± 0.4 |
|
|
||||
| RUN2474 | MAT-POS-8a69d52e-7_1 |
|
EN300-1644703_2_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN5872 | MAT-POS-8a69d52e-7_1 |
|
EN300-6480951_2_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN5147 | MAT-POS-8a69d52e-7_1 |
|
EN300-41518_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN10564 | MAT-POS-8a69d52e-7_1 |
|
EN300-25986_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN14449 | MAT-POS-8a69d52e-7_1 |
|
EN300-111006_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN14487 | MAT-POS-8a69d52e-7_1 |
|
EN300-189729_2_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN10331 | MAT-POS-8a69d52e-7_1 |
|
EN300-81528_1_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN9843 | MAT-POS-8a69d52e-7_1 |
|
EN300-6504535_1_3 |
|
1.6 ± 0.3 |
|
|
||||
| RUN8646 | MAT-POS-8a69d52e-7_1 |
|
EN300-75464_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN10533 | MAT-POS-8a69d52e-7_1 |
|
EN300-6480951_1_4 |
|
1.6 ± 0.2 |
|
|
||||
| RUN14903 | MAT-POS-8a69d52e-7_1 |
|
EN300-321960_4_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN6279 | MAT-POS-8a69d52e-7_1 |
|
EN300-227398_2_1 |
|
1.6 ± 0.4 |
|
|
||||
| RUN14375 | MAT-POS-8a69d52e-7_1 |
|
EN300-7354033_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN9378 | MAT-POS-8a69d52e-7_1 |
|
EN300-54417_2_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN9031 | MAT-POS-8a69d52e-7_1 |
|
EN300-44873_4_1 |
|
1.6 ± 0.4 |
|
|
||||
| RUN11372 | MAT-POS-8a69d52e-7_1 |
|
EN300-1644723_4_7 |
|
1.6 ± 0.2 |
|
|
||||
| RUN13119 | MAT-POS-8a69d52e-7_1 |
|
EN300-77408_2_3 |
|
1.6 ± 0.3 |
|
|
||||
| RUN9059 | MAT-POS-8a69d52e-7_1 |
|
EN300-365993_2_3 |
|
1.6 ± 0.4 |
|
|
||||
| RUN6771 | MAT-POS-8a69d52e-7_1 |
|
EN300-6474933_1_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN1142 | MAT-POS-8a69d52e-7_1 |
|
EN300-105829_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN12163 | MAT-POS-8a69d52e-7_1 |
|
EN300-75342_4_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN11398 | MAT-POS-8a69d52e-7_1 |
|
EN300-80083_4_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN13711 | MAT-POS-8a69d52e-7_1 |
|
EN300-1703015_4_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN7501 | MAT-POS-8a69d52e-7_1 |
|
EN300-1605566_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN3844 | MAT-POS-8a69d52e-7_1 |
|
EN300-155823_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN7377 | MAT-POS-8a69d52e-7_1 |
|
EN300-13489_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN12602 | MAT-POS-8a69d52e-7_1 |
|
EN300-7431620_1_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN14047 | MAT-POS-8a69d52e-7_1 |
|
EN300-257536_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN5868 | MAT-POS-8a69d52e-7_1 |
|
EN300-384557_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN14815 | MAT-POS-8a69d52e-7_1 |
|
EN300-1272295_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN4719 | MAT-POS-8a69d52e-7_1 |
|
EN300-39504_2_1 |
|
1.6 ± 0.5 |
|
|
||||
| RUN1861 | MAT-POS-8a69d52e-7_1 |
|
EN300-303908_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN11687 | MAT-POS-8a69d52e-7_1 |
|
EN300-366852_1_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN7770 | MAT-POS-8a69d52e-7_1 |
|
EN300-107700_2_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN1287 | MAT-POS-8a69d52e-7_1 |
|
EN300-90068_1_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN7922 | MAT-POS-8a69d52e-7_1 |
|
EN300-4293814_4_1 |
|
1.6 ± 0.5 |
|
|
||||
| RUN14321 | MAT-POS-8a69d52e-7_1 |
|
EN300-1272704_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN14265 | MAT-POS-8a69d52e-7_1 |
|
EN300-100741_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN3428 | MAT-POS-8a69d52e-7_1 |
|
EN300-6743781_2_1 |
|
1.6 ± 0.4 |
|
|
||||
| RUN123 | MAT-POS-8a69d52e-7_1 |
|
MAT-POS-11b63608-1_2 |
|
1.6 ± 0.2 |
|
|
||||
| RUN12115 | MAT-POS-8a69d52e-7_1 |
|
EN300-21009_4_2 |
|
1.6 ± 0.2 |
|
|
||||
| RUN7890 | MAT-POS-8a69d52e-7_1 |
|
EN300-658559_4_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN5436 | MAT-POS-8a69d52e-7_1 |
|
EN300-312662_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN14783 | MAT-POS-8a69d52e-7_1 |
|
EN300-33999_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN14527 | MAT-POS-8a69d52e-7_1 |
|
EN300-7355835_2_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN8449 | MAT-POS-8a69d52e-7_1 |
|
EN300-6478631_2_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN2639 | MAT-POS-8a69d52e-7_1 |
|
EN300-152756_2_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN11253 | MAT-POS-8a69d52e-7_1 |
|
EN300-68203_4_2 |
|
1.6 ± 0.2 |
|
|
||||
| RUN11039 | MAT-POS-8a69d52e-7_1 |
|
EN300-31015_4_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN3472 | MAT-POS-8a69d52e-7_1 |
|
EN300-144935_2_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN7345 | MAT-POS-8a69d52e-7_1 |
|
EN300-83280_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN7513 | MAT-POS-8a69d52e-7_1 |
|
EN300-223741_2_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN3512 | MAT-POS-8a69d52e-7_1 |
|
EN300-213215_2_7 |
|
1.6 ± 0.3 |
|
|
||||
| RUN1190 | MAT-POS-8a69d52e-7_1 |
|
EN300-7459540_2_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN8507 | MAT-POS-8a69d52e-7_1 |
|
EN300-7492698_1_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN14318 | MAT-POS-8a69d52e-7_1 |
|
EN300-6487630_1_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN110 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-3875bbc8-2_2 |
|
1.6 ± 0.1 |
|
|
||||
| RUN10656 | MAT-POS-8a69d52e-7_1 |
|
EN300-18610_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN3163 | MAT-POS-8a69d52e-7_1 |
|
EN300-201551_2_3 |
|
1.6 ± 0.3 |
|
|
||||
| RUN13371 | MAT-POS-8a69d52e-7_1 |
|
EN300-341337_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN12630 | MAT-POS-8a69d52e-7_1 |
|
EN300-227398_1_3 |
|
1.6 ± 0.5 |
|
|
||||
| RUN8430 | MAT-POS-8a69d52e-7_1 |
|
EN300-1720418_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN6965 | MAT-POS-8a69d52e-7_1 |
|
EN300-90142_2_3 |
|
1.6 ± 0.2 |
|
|
||||
| RUN14343 | MAT-POS-8a69d52e-7_1 |
|
EN300-69313_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN13263 | MAT-POS-8a69d52e-7_1 |
|
EN300-249804_4_1 |
|
1.6 ± 0.2 |
|
|
||||
| RUN6986 | MAT-POS-8a69d52e-7_1 |
|
EN300-307198_2_1 |
|
1.6 ± 0.3 |
|
|
||||
| RUN14581 | MAT-POS-8a69d52e-7_1 |
|
EN300-301925_4_2 |
|
1.6 ± 0.3 |
|
|
||||
| RUN1131 | MAT-POS-8a69d52e-7_1 |
|
EN300-139167_4_2 |
|
1.7 ± 0.3 |
|
|
||||
| RUN841 | MAT-POS-8a69d52e-7_1 |
|
EN300-2009339_1_1 |
|
1.7 ± 0.3 |
|
|
||||
| RUN13025 | MAT-POS-8a69d52e-7_1 |
|
EN300-1719075_2_2 |
|
1.7 ± 0.4 |
|
|
||||
| RUN2750 | MAT-POS-8a69d52e-7_1 |
|
EN300-1212400_2_2 |
|
1.7 ± 0.3 |
|
|
||||
| RUN14071 | MAT-POS-8a69d52e-7_1 |
|
EN300-260696_2_8 |
|
1.7 ± 0.3 |
|
|
||||
| RUN14811 | MAT-POS-8a69d52e-7_1 |
|
EN300-264318_2_1 |
|
1.7 ± 0.3 |
|
|
||||
| RUN2383 | MAT-POS-8a69d52e-7_1 |
|
EN300-393334_2_1 |
|
1.7 ± 0.3 |
|
|
||||
| RUN4985 | MAT-POS-8a69d52e-7_1 |
|
EN300-309457_3_1 |
|
1.7 ± 0.3 |
|
|
||||
| RUN11582 | MAT-POS-8a69d52e-7_1 |
|
EN300-7355519_4_7 |
|
1.7 ± 0.2 |
|
|
||||
| RUN12784 | MAT-POS-8a69d52e-7_1 |
|
EN300-35966_1_1 |
|
1.7 ± 0.3 |
|
|
||||
| RUN169 | MAT-POS-8a69d52e-7_1 |
|
JOH-SUS-a69c159d-4_1 |
|
1.66 ± 0.09 |
|
|
||||
| RUN3123 | MAT-POS-8a69d52e-7_1 |
|
EN300-7445396_2_2 |
|
1.7 ± 0.2 |
|
|
||||