| Project | RUN | System | Guest | Microstate | CLONE | Person | dG1 (kT) | dG1 sigma (kT) | dG3 (kT) | dG3 sigma (kT) | dG_binding (RT) | dG_binding sigma (RT) | log10Kd | log10Kd sigma | RL WL-increment | ns of RL simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 18433 | 19 | RL_8 | G11 | 2 | 0 | Julie | 6.42 | 0.0 | -48.96 | 1.11 | -11.81 | 1.13 | -5.13 | 0.49 | 0.0041 | 430.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 1 | Julie | 6.42 | 0.0 | -49.20 | 1.10 | -12.07 | 1.12 | -5.24 | 0.49 | 0.0032 | 460.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 2 | Julie | 6.42 | 0.0 | -48.68 | 1.02 | -11.57 | 1.03 | -5.02 | 0.45 | 0.0021 | 470.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 3 | Julie | 6.42 | 0.0 | -49.18 | 1.21 | -11.91 | 1.21 | -5.17 | 0.53 | 0.0051 | 260.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 4 | Julie | 6.42 | 0.0 | -48.96 | 1.18 | -11.85 | 1.19 | -5.15 | 0.52 | 0.0032 | 420.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 5 | Julie | 6.42 | 0.0 | -48.96 | 1.63 | -11.89 | 1.63 | -5.16 | 0.71 | 0.0041 | 330.65 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 6 | Julie | 6.42 | 0.0 | -49.01 | 1.56 | -11.85 | 1.57 | -5.15 | 0.68 | 0.0041 | 290.55 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 7 | Julie | 6.42 | 0.0 | -48.51 | 1.80 | -11.31 | 1.81 | -4.91 | 0.78 | 0.0063 | 220.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 8 | Julie | 6.42 | 0.0 | -49.04 | 1.14 | -11.86 | 1.15 | -5.15 | 0.50 | 0.0032 | 420.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 9 | Julie | 6.42 | 0.0 | -48.99 | 1.18 | -11.95 | 1.27 | -5.19 | 0.55 | 0.0021 | 460.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 10 | Julie | 6.42 | 0.0 | -49.24 | 1.22 | -12.16 | 1.23 | -5.28 | 0.53 | 0.0079 | 310.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 11 | Julie | 6.42 | 0.0 | -48.98 | 1.39 | -11.86 | 1.39 | -5.15 | 0.60 | 0.0026 | 300.1 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 12 | Julie | 6.42 | 0.0 | -48.92 | 1.57 | -11.81 | 1.58 | -5.13 | 0.68 | 0.0032 | 400.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 13 | Julie | 6.42 | 0.0 | -49.24 | 1.13 | -12.10 | 1.15 | -5.26 | 0.50 | 0.0032 | 330.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 14 | Julie | 6.42 | 0.0 | -49.11 | 1.39 | -12.00 | 1.40 | -5.21 | 0.61 | 0.0041 | 450.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 15 | Julie | 6.42 | 0.0 | -48.90 | 1.07 | -11.83 | 1.07 | -5.14 | 0.47 | 0.0021 | 420.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 16 | Julie | 6.42 | 0.0 | -49.15 | 1.38 | -11.93 | 1.39 | -5.18 | 0.60 | 0.0099 | 240.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 17 | Julie | 6.42 | 0.0 | -49.12 | 1.31 | -11.96 | 1.32 | -5.19 | 0.57 | 0.0041 | 320.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 18 | Julie | 6.42 | 0.0 | -48.78 | 1.48 | -11.57 | 1.50 | -5.02 | 0.65 | 0.0026 | 390.1 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 19 | Julie | 6.42 | 0.0 | -48.85 | 1.33 | -11.61 | 1.34 | -5.04 | 0.58 | 0.0041 | 200.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 20 | Julie | 6.42 | 0.0 | -48.92 | 1.13 | -11.76 | 1.14 | -5.11 | 0.50 | 0.0017 | 380.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 21 | Julie | 6.42 | 0.0 | -48.82 | 1.46 | -11.65 | 1.48 | -5.06 | 0.64 | 0.0032 | 330.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 22 | Julie | 6.42 | 0.0 | -49.35 | 1.51 | -12.12 | 1.52 | -5.26 | 0.66 | 0.0079 | 180.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 23 | Julie | 6.42 | 0.0 | -48.83 | 1.23 | -11.76 | 1.24 | -5.11 | 0.54 | 0.0051 | 360.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 24 | Julie | 6.42 | 0.0 | -49.43 | 1.26 | -12.32 | 1.27 | -5.35 | 0.55 | 0.0063 | 220.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 25 | Julie | 6.42 | 0.0 | -48.79 | 0.95 | -11.61 | 0.95 | -5.04 | 0.41 | 0.0017 | 560.1 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 26 | Julie | 6.42 | 0.0 | -49.20 | 0.84 | -12.04 | 0.86 | -5.23 | 0.37 | 0.0009 | 550.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 27 | Julie | 6.42 | 0.0 | -48.85 | 1.60 | -11.69 | 1.61 | -5.08 | 0.70 | 0.0079 | 240.1 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 28 | Julie | 6.42 | 0.0 | -48.85 | 1.11 | -11.72 | 1.12 | -5.09 | 0.49 | 0.0026 | 360.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 29 | Julie | 6.42 | 0.0 | -49.17 | 0.97 | -12.15 | 0.98 | -5.28 | 0.43 | 0.0026 | 340.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 30 | Julie | 6.42 | 0.0 | -49.69 | 1.62 | -12.60 | 1.63 | -5.47 | 0.71 | 0.0099 | 140.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 31 | Julie | 6.42 | 0.0 | -48.86 | 1.09 | -11.77 | 1.09 | -5.11 | 0.47 | 0.0041 | 290.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 32 | Julie | 6.42 | 0.0 | -49.14 | 1.14 | -11.98 | 1.15 | -5.20 | 0.50 | 0.0051 | 340.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 33 | Julie | 6.42 | 0.0 | -48.99 | 1.45 | -11.87 | 1.45 | -5.15 | 0.63 | 0.0041 | 310.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 34 | Julie | 6.42 | 0.0 | -48.97 | 1.14 | -11.87 | 1.15 | -5.16 | 0.50 | 0.0021 | 420.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 35 | Julie | 6.42 | 0.0 | -48.70 | 1.04 | -11.52 | 1.04 | -5.00 | 0.45 | 0.0017 | 480.55 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 36 | Julie | 6.42 | 0.0 | -48.66 | 1.11 | -11.53 | 1.12 | -5.01 | 0.49 | 0.0063 | 310.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 37 | Julie | 6.42 | 0.0 | -48.60 | 1.33 | -11.47 | 1.34 | -4.98 | 0.58 | 0.0051 | 280.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 38 | Julie | 6.42 | 0.0 | -48.78 | 1.49 | -11.69 | 1.50 | -5.08 | 0.65 | 0.0032 | 280.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 39 | Julie | 6.42 | 0.0 | -48.83 | 1.20 | -11.64 | 1.22 | -5.05 | 0.53 | 0.0032 | 330.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 40 | Julie | 6.42 | 0.0 | -48.90 | 1.62 | -11.77 | 1.63 | -5.11 | 0.71 | 0.0041 | 340.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 41 | Julie | 6.42 | 0.0 | -48.77 | 1.22 | -11.65 | 1.23 | -5.06 | 0.53 | 0.0041 | 470.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 42 | Julie | 6.42 | 0.0 | -49.27 | 0.98 | -12.03 | 1.00 | -5.22 | 0.43 | 0.0026 | 400.4 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 43 | Julie | 6.42 | 0.0 | -49.11 | 1.40 | -12.03 | 1.41 | -5.22 | 0.61 | 0.0041 | 340.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 44 | Julie | 6.42 | 0.0 | -48.70 | 1.35 | -11.55 | 1.36 | -5.01 | 0.59 | 0.0032 | 420.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 45 | Julie | 6.42 | 0.0 | -48.90 | 1.29 | -11.85 | 1.30 | -5.15 | 0.56 | 0.0063 | 320.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 46 | Julie | 6.42 | 0.0 | -49.08 | 1.03 | -11.96 | 1.04 | -5.19 | 0.45 | 0.0063 | 320.0 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 47 | Julie | 6.42 | 0.0 | -49.15 | 1.21 | -12.03 | 1.22 | -5.22 | 0.53 | 0.0026 | 290.2 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 48 | Julie | 6.42 | 0.0 | -49.02 | 1.33 | -11.90 | 1.34 | -5.17 | 0.58 | 0.0063 | 270.1 | True |
| 18433 | 19 | RL_8 | G11 | 2 | 49 | Julie | 6.42 | 0.0 | -49.52 | 1.57 | -12.47 | 1.58 | -5.42 | 0.69 | 0.0032 | 240.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 20 | L | G11 | 2 | 0 | Julie | 30.73 | 0.20 | 0.0000 | 179.8 | True |
| 18434 | 20 | L | G11 | 2 | 1 | Julie | 30.71 | 0.22 | 0.0001 | 140.0 | True |
| 18434 | 20 | L | G11 | 2 | 2 | Julie | 30.69 | 0.15 | 0.0000 | 211.2 | True |
| 18434 | 20 | L | G11 | 2 | 3 | Julie | 30.86 | 0.13 | 0.0000 | 190.2 | True |
| 18434 | 20 | L | G11 | 2 | 4 | Julie | 30.69 | 0.15 | 0.0000 | 170.0 | True |
| 18434 | 20 | L | G11 | 2 | 5 | Julie | 30.65 | 0.11 | 0.0000 | 271.15 | True |
| 18434 | 20 | L | G11 | 2 | 6 | Julie | 30.75 | 0.16 | 0.0000 | 183.9 | True |
| 18434 | 20 | L | G11 | 2 | 7 | Julie | 30.78 | 0.19 | 0.0001 | 110.0 | True |
| 18434 | 20 | L | G11 | 2 | 8 | Julie | 30.76 | 0.17 | 0.0000 | 160.0 | True |
| 18434 | 20 | L | G11 | 2 | 9 | Julie | 30.63 | 0.47 | 0.0242 | 30.0 | True |
| 18434 | 20 | L | G11 | 2 | 10 | Julie | 30.66 | 0.17 | 0.0000 | 200.0 | True |
| 18434 | 20 | L | G11 | 2 | 11 | Julie | 30.71 | 0.12 | 0.0000 | 246.2 | True |
| 18434 | 20 | L | G11 | 2 | 12 | Julie | 30.70 | 0.17 | 0.0001 | 140.0 | True |
| 18434 | 20 | L | G11 | 2 | 13 | Julie | 30.72 | 0.23 | 0.0005 | 100.05 | True |
| 18434 | 20 | L | G11 | 2 | 14 | Julie | 30.69 | 0.17 | 0.0000 | 223.3 | True |
| 18434 | 20 | L | G11 | 2 | 15 | Julie | 30.65 | 0.08 | 0.0000 | 227.6 | True |
| 18434 | 20 | L | G11 | 2 | 16 | Julie | 30.80 | 0.17 | 0.0000 | 207.3 | True |
| 18434 | 20 | L | G11 | 2 | 17 | Julie | 30.75 | 0.13 | 0.0000 | 210.95 | True |
| 18434 | 20 | L | G11 | 2 | 18 | Julie | 30.79 | 0.20 | 0.0000 | 160.0 | True |
| 18434 | 20 | L | G11 | 2 | 19 | Julie | 30.83 | 0.17 | 0.0000 | 173.95 | True |
| 18434 | 20 | L | G11 | 2 | 20 | Julie | 30.74 | 0.16 | 0.0000 | 186.7 | True |
| 18434 | 20 | L | G11 | 2 | 21 | Julie | 30.75 | 0.19 | 0.0000 | 160.05 | True |
| 18434 | 20 | L | G11 | 2 | 22 | Julie | 30.81 | 0.22 | 0.0001 | 140.2 | True |
| 18434 | 20 | L | G11 | 2 | 23 | Julie | 30.66 | 0.17 | 0.0000 | 235.45 | True |
| 18434 | 20 | L | G11 | 2 | 24 | Julie | 30.70 | 0.17 | 0.0002 | 130.5 | True |
| 18434 | 20 | L | G11 | 2 | 25 | Julie | 30.76 | 0.12 | 0.0000 | 160.0 | True |
| 18434 | 20 | L | G11 | 2 | 26 | Julie | 30.74 | 0.18 | 0.0000 | 180.0 | True |
| 18434 | 20 | L | G11 | 2 | 27 | Julie | 30.74 | 0.19 | 0.0000 | 188.55 | True |
| 18434 | 20 | L | G11 | 2 | 28 | Julie | 30.72 | 0.14 | 0.0000 | 239.0 | True |
| 18434 | 20 | L | G11 | 2 | 29 | Julie | 30.61 | 0.16 | 0.0000 | 218.3 | True |
| 18434 | 20 | L | G11 | 2 | 30 | Julie | 30.68 | 0.14 | 0.0000 | 198.75 | True |
| 18434 | 20 | L | G11 | 2 | 31 | Julie | 30.67 | 0.12 | 0.0000 | 214.4 | True |
| 18434 | 20 | L | G11 | 2 | 32 | Julie | 30.74 | 0.15 | 0.0000 | 237.65 | True |
| 18434 | 20 | L | G11 | 2 | 33 | Julie | 30.70 | 0.11 | 0.0000 | 239.05 | True |
| 18434 | 20 | L | G11 | 2 | 34 | Julie | 30.68 | 0.14 | 0.0000 | 242.0 | True |
| 18434 | 20 | L | G11 | 2 | 35 | Julie | 30.76 | 0.13 | 0.0000 | 217.9 | True |
| 18434 | 20 | L | G11 | 2 | 36 | Julie | 30.71 | 0.16 | 0.0000 | 217.1 | True |
| 18434 | 20 | L | G11 | 2 | 37 | Julie | 30.72 | 0.16 | 0.0000 | 199.2 | True |
| 18434 | 20 | L | G11 | 2 | 38 | Julie | 30.67 | 0.15 | 0.0000 | 197.2 | True |
| 18434 | 20 | L | G11 | 2 | 39 | Julie | 30.77 | 0.16 | 0.0000 | 205.25 | True |
| 18434 | 20 | L | G11 | 2 | 40 | Julie | 30.71 | 0.19 | 0.0000 | 180.1 | True |
| 18434 | 20 | L | G11 | 2 | 41 | Julie | 30.71 | 0.12 | 0.0000 | 195.1 | True |
| 18434 | 20 | L | G11 | 2 | 42 | Julie | 30.83 | 0.18 | 0.0000 | 183.6 | True |
| 18434 | 20 | L | G11 | 2 | 43 | Julie | 30.67 | 0.20 | 0.0000 | 186.15 | True |
| 18434 | 20 | L | G11 | 2 | 44 | Julie | 30.73 | 0.19 | 0.0000 | 253.15 | True |
| 18434 | 20 | L | G11 | 2 | 45 | Julie | 30.64 | 0.15 | 0.0000 | 194.65 | True |
| 18434 | 20 | L | G11 | 2 | 46 | Julie | 30.71 | 0.13 | 0.0000 | 184.4 | True |
| 18434 | 20 | L | G11 | 2 | 47 | Julie | 30.71 | 0.15 | 0.0000 | 219.4 | True |
| 18434 | 20 | L | G11 | 2 | 48 | Julie | 30.70 | 0.16 | 0.0000 | 243.7 | True |
| 18434 | 20 | L | G11 | 2 | 49 | Julie | 30.63 | 0.15 | 0.0000 | 242.7 | True |