| 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 | 51 | RL_12 | G3 | 4 | 0 | Tim | 6.42 | 0.0 | -27.32 | 2.13 | -14.81 | 2.14 | -6.43 | 0.93 | 0.0099 | 280.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 1 | Tim | 6.42 | 0.0 | -27.85 | 2.42 | -15.39 | 2.43 | -6.68 | 1.05 | 0.0079 | 310.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 2 | Tim | 6.42 | 0.0 | -27.03 | 3.04 | -14.42 | 3.05 | -6.26 | 1.32 | 0.0302 | 100.0 | False |
| 18433 | 51 | RL_12 | G3 | 4 | 3 | Tim | 6.42 | 0.0 | -27.27 | 2.25 | -14.75 | 2.25 | -6.41 | 0.98 | 0.0063 | 430.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 4 | Tim | 6.42 | 0.0 | -27.49 | 2.03 | -14.91 | 2.04 | -6.48 | 0.88 | 0.0051 | 430.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 5 | Tim | 6.42 | 0.0 | -27.45 | 1.78 | -14.88 | 1.79 | -6.46 | 0.78 | 0.0063 | 410.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 6 | Tim | 6.42 | 0.0 | -27.12 | 2.10 | -14.59 | 2.10 | -6.34 | 0.91 | 0.0063 | 410.5 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 7 | Tim | 6.42 | 0.0 | -27.94 | 1.78 | -15.38 | 1.79 | -6.68 | 0.78 | 0.0032 | 540.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 8 | Tim | 6.42 | 0.0 | -27.03 | 2.24 | -14.59 | 2.24 | -6.34 | 0.97 | 0.0099 | 310.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 9 | Tim | 6.42 | 0.0 | -27.02 | 3.10 | -14.37 | 3.11 | -6.24 | 1.35 | 0.0124 | 280.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 10 | Tim | 6.42 | 0.0 | -27.12 | 2.89 | -14.64 | 2.89 | -6.36 | 1.26 | 0.0079 | 430.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 11 | Tim | 6.42 | 0.0 | -27.67 | 1.78 | -15.07 | 1.79 | -6.55 | 0.78 | 0.0032 | 500.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 12 | Tim | 6.42 | 0.0 | -27.39 | 2.35 | -14.76 | 2.36 | -6.41 | 1.02 | 0.0079 | 400.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 13 | Tim | 6.42 | 0.0 | -27.03 | 2.53 | -14.47 | 2.53 | -6.29 | 1.10 | 0.0099 | 310.1 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 14 | Tim | 6.42 | 0.0 | -26.94 | 2.83 | -14.41 | 2.83 | -6.26 | 1.23 | 0.0063 | 330.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 15 | Tim | 6.42 | 0.0 | -27.33 | 2.50 | -14.74 | 2.50 | -6.40 | 1.09 | 0.0099 | 390.2 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 16 | Tim | 6.42 | 0.0 | -27.18 | 2.06 | -14.61 | 2.06 | -6.35 | 0.89 | 0.0063 | 310.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 17 | Tim | 6.42 | 0.0 | -26.88 | 2.56 | -14.37 | 2.57 | -6.24 | 1.11 | 0.0063 | 330.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 18 | Tim | 6.42 | 0.0 | -27.55 | 2.81 | -15.05 | 2.82 | -6.53 | 1.22 | 0.0099 | 310.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 19 | Tim | 6.42 | 0.0 | -27.36 | 2.45 | -14.79 | 2.46 | -6.42 | 1.07 | 0.0099 | 270.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 20 | Tim | 6.42 | 0.0 | -27.75 | 1.92 | -15.14 | 1.92 | -6.58 | 0.83 | 0.0079 | 360.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 21 | Tim | 6.42 | 0.0 | -27.87 | 2.23 | -15.27 | 2.23 | -6.63 | 0.97 | 0.0099 | 380.2 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 22 | Tim | 6.42 | 0.0 | -27.91 | 2.03 | -15.42 | 2.03 | -6.70 | 0.88 | 0.0063 | 340.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 23 | Tim | 6.42 | 0.0 | -27.11 | 2.58 | -14.56 | 2.58 | -6.32 | 1.12 | 0.0099 | 420.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 24 | Tim | 6.42 | 0.0 | -27.19 | 2.40 | -14.72 | 2.41 | -6.39 | 1.05 | 0.0155 | 220.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 25 | Tim | 6.42 | 0.0 | -28.00 | 2.31 | -15.43 | 2.31 | -6.70 | 1.00 | 0.0079 | 390.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 26 | Tim | 6.42 | 0.0 | -27.43 | 2.49 | -14.84 | 2.50 | -6.44 | 1.08 | 0.0124 | 310.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 27 | Tim | 6.42 | 0.0 | -27.65 | 1.52 | -15.04 | 1.53 | -6.53 | 0.66 | 0.0079 | 330.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 28 | Tim | 6.42 | 0.0 | -27.18 | 2.73 | -14.57 | 2.74 | -6.33 | 1.19 | 0.0079 | 290.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 29 | Tim | 6.42 | 0.0 | -27.48 | 1.94 | -14.91 | 1.94 | -6.48 | 0.84 | 0.0041 | 380.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 30 | Tim | 6.42 | 0.0 | -26.98 | 2.50 | -14.48 | 2.51 | -6.29 | 1.09 | 0.0079 | 420.2 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 31 | Tim | 6.42 | 0.0 | -27.65 | 2.16 | -15.03 | 2.16 | -6.53 | 0.94 | 0.0099 | 460.6 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 32 | Tim | 6.42 | 0.0 | -27.02 | 3.28 | -14.48 | 3.28 | -6.29 | 1.42 | 0.0242 | 140.0 | False |
| 18433 | 51 | RL_12 | G3 | 4 | 33 | Tim | 6.42 | 0.0 | -27.46 | 2.30 | -14.80 | 2.31 | -6.43 | 1.00 | 0.0155 | 190.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 34 | Tim | 6.42 | 0.0 | -27.10 | 3.12 | -14.52 | 3.12 | -6.31 | 1.35 | 0.0099 | 350.15 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 35 | Tim | 6.42 | 0.0 | -27.45 | 1.52 | -14.88 | 1.53 | -6.46 | 0.67 | 0.0032 | 470.1 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 36 | Tim | 6.42 | 0.0 | -28.01 | 1.63 | -15.44 | 1.63 | -6.71 | 0.71 | 0.0041 | 450.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 37 | Tim | 6.42 | 0.0 | -28.06 | 2.44 | -15.55 | 2.44 | -6.75 | 1.06 | 0.0079 | 350.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 38 | Tim | 6.42 | 0.0 | -27.35 | 2.35 | -14.73 | 2.36 | -6.40 | 1.02 | 0.0032 | 450.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 39 | Tim | 6.42 | 0.0 | -28.27 | 1.39 | -15.77 | 1.40 | -6.85 | 0.61 | 0.0051 | 450.2 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 40 | Tim | 6.42 | 0.0 | -27.95 | 1.82 | -15.41 | 1.83 | -6.69 | 0.80 | 0.0063 | 320.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 41 | Tim | 6.42 | 0.0 | -27.79 | 1.93 | -15.15 | 1.95 | -6.58 | 0.85 | 0.0051 | 360.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 42 | Tim | 6.42 | 0.0 | -27.69 | 2.33 | -15.14 | 2.33 | -6.58 | 1.01 | 0.0079 | 320.35 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 43 | Tim | 6.42 | 0.0 | -27.50 | 2.51 | -14.91 | 2.52 | -6.47 | 1.09 | 0.0099 | 340.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 44 | Tim | 6.42 | 0.0 | -27.11 | 2.32 | -14.55 | 2.33 | -6.32 | 1.01 | 0.0079 | 300.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 45 | Tim | 6.42 | 0.0 | -26.94 | 2.29 | -14.39 | 2.29 | -6.25 | 1.00 | 0.0063 | 480.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 46 | Tim | 6.42 | 0.0 | -28.04 | 2.36 | -15.50 | 2.37 | -6.73 | 1.03 | 0.0063 | 290.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 47 | Tim | 6.42 | 0.0 | -27.37 | 2.26 | -14.76 | 2.26 | -6.41 | 0.98 | 0.0079 | 340.1 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 48 | Tim | 6.42 | 0.0 | -27.53 | 2.63 | -14.98 | 2.63 | -6.51 | 1.14 | 0.0079 | 280.0 | True |
| 18433 | 51 | RL_12 | G3 | 4 | 49 | Tim | 6.42 | 0.0 | -26.87 | 2.25 | -14.37 | 2.26 | -6.24 | 0.98 | 0.0155 | 220.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 7 | L | G3 | 4 | 0 | Tim | 6.10 | 0.19 | 0.0000 | 200.0 | True |
| 18434 | 7 | L | G3 | 4 | 1 | Tim | 6.05 | 0.14 | 0.0000 | 250.65 | True |
| 18434 | 7 | L | G3 | 4 | 2 | Tim | 6.19 | 0.18 | 0.0000 | 220.45 | True |
| 18434 | 7 | L | G3 | 4 | 3 | Tim | 6.10 | 0.17 | 0.0000 | 230.4 | True |
| 18434 | 7 | L | G3 | 4 | 4 | Tim | 6.17 | 0.15 | 0.0000 | 226.5 | True |
| 18434 | 7 | L | G3 | 4 | 5 | Tim | 6.16 | 0.16 | 0.0001 | 150.0 | True |
| 18434 | 7 | L | G3 | 4 | 6 | Tim | 6.12 | 0.12 | 0.0000 | 249.8 | True |
| 18434 | 7 | L | G3 | 4 | 7 | Tim | 6.15 | 0.17 | 0.0000 | 203.25 | True |
| 18434 | 7 | L | G3 | 4 | 8 | Tim | 6.02 | 0.10 | 0.0000 | 195.05 | True |
| 18434 | 7 | L | G3 | 4 | 9 | Tim | 6.24 | 0.14 | 0.0000 | 264.85 | True |
| 18434 | 7 | L | G3 | 4 | 10 | Tim | 6.07 | 0.11 | 0.0000 | 225.45 | True |
| 18434 | 7 | L | G3 | 4 | 11 | Tim | 6.18 | 0.15 | 0.0000 | 234.75 | True |
| 18434 | 7 | L | G3 | 4 | 12 | Tim | 6.21 | 0.21 | 0.0000 | 194.0 | True |
| 18434 | 7 | L | G3 | 4 | 13 | Tim | 6.14 | 0.15 | 0.0000 | 190.0 | True |
| 18434 | 7 | L | G3 | 4 | 14 | Tim | 6.12 | 0.14 | 0.0000 | 242.2 | True |
| 18434 | 7 | L | G3 | 4 | 15 | Tim | 6.18 | 0.11 | 0.0000 | 196.05 | True |
| 18434 | 7 | L | G3 | 4 | 16 | Tim | 6.15 | 0.12 | 0.0000 | 253.6 | True |
| 18434 | 7 | L | G3 | 4 | 17 | Tim | 6.09 | 0.16 | 0.0000 | 184.65 | True |
| 18434 | 7 | L | G3 | 4 | 18 | Tim | 6.09 | 0.17 | 0.0000 | 220.3 | True |
| 18434 | 7 | L | G3 | 4 | 19 | Tim | 6.16 | 0.16 | 0.0000 | 226.9 | True |
| 18434 | 7 | L | G3 | 4 | 20 | Tim | 6.20 | 0.12 | 0.0000 | 220.2 | True |
| 18434 | 7 | L | G3 | 4 | 21 | Tim | 6.18 | 0.13 | 0.0000 | 220.5 | True |
| 18434 | 7 | L | G3 | 4 | 22 | Tim | 6.07 | 0.14 | 0.0000 | 246.3 | True |
| 18434 | 7 | L | G3 | 4 | 23 | Tim | 6.14 | 0.12 | 0.0000 | 230.25 | True |
| 18434 | 7 | L | G3 | 4 | 24 | Tim | 6.06 | 0.15 | 0.0000 | 209.75 | True |
| 18434 | 7 | L | G3 | 4 | 25 | Tim | 6.16 | 0.13 | 0.0000 | 183.65 | True |
| 18434 | 7 | L | G3 | 4 | 26 | Tim | 6.18 | 0.15 | 0.0000 | 197.95 | True |
| 18434 | 7 | L | G3 | 4 | 27 | Tim | 6.20 | 0.14 | 0.0000 | 218.65 | True |
| 18434 | 7 | L | G3 | 4 | 28 | Tim | 6.19 | 0.18 | 0.0000 | 170.0 | True |
| 18434 | 7 | L | G3 | 4 | 29 | Tim | 6.15 | 0.17 | 0.0001 | 180.0 | True |
| 18434 | 7 | L | G3 | 4 | 30 | Tim | 6.08 | 0.22 | 0.0003 | 110.5 | True |
| 18434 | 7 | L | G3 | 4 | 31 | Tim | 6.20 | 0.17 | 0.0001 | 160.0 | True |
| 18434 | 7 | L | G3 | 4 | 32 | Tim | 6.12 | 0.14 | 0.0000 | 198.2 | True |
| 18434 | 7 | L | G3 | 4 | 33 | Tim | 6.24 | 0.15 | 0.0000 | 190.0 | True |
| 18434 | 7 | L | G3 | 4 | 34 | Tim | 6.16 | 0.10 | 0.0000 | 231.35 | True |
| 18434 | 7 | L | G3 | 4 | 35 | Tim | 6.15 | 0.16 | 0.0003 | 130.05 | True |
| 18434 | 7 | L | G3 | 4 | 36 | Tim | 6.15 | 0.13 | 0.0000 | 210.45 | True |
| 18434 | 7 | L | G3 | 4 | 37 | Tim | 6.09 | 0.17 | 0.0001 | 130.0 | True |
| 18434 | 7 | L | G3 | 4 | 38 | Tim | 6.20 | 0.15 | 0.0000 | 190.0 | True |
| 18434 | 7 | L | G3 | 4 | 39 | Tim | 6.08 | 0.17 | 0.0000 | 206.35 | True |
| 18434 | 7 | L | G3 | 4 | 40 | Tim | 6.12 | 0.16 | 0.0000 | 192.15 | True |
| 18434 | 7 | L | G3 | 4 | 41 | Tim | 6.23 | 0.29 | 0.0021 | 80.0 | True |
| 18434 | 7 | L | G3 | 4 | 42 | Tim | 6.13 | 0.19 | 0.0002 | 130.0 | True |
| 18434 | 7 | L | G3 | 4 | 43 | Tim | 6.17 | 0.17 | 0.0000 | 190.0 | True |
| 18434 | 7 | L | G3 | 4 | 44 | Tim | 6.14 | 0.19 | 0.0001 | 170.0 | True |
| 18434 | 7 | L | G3 | 4 | 45 | Tim | 6.14 | 0.16 | 0.0001 | 160.0 | True |
| 18434 | 7 | L | G3 | 4 | 46 | Tim | 6.12 | 0.20 | 0.0001 | 150.0 | True |
| 18434 | 7 | L | G3 | 4 | 47 | Tim | 6.19 | 0.16 | 0.0001 | 150.0 | True |
| 18434 | 7 | L | G3 | 4 | 48 | Tim | 6.14 | 0.17 | 0.0001 | 140.15 | True |
| 18434 | 7 | L | G3 | 4 | 49 | Tim | 6.09 | 0.12 | 0.0000 | 222.3 | True |