| 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 | 12 | RL_8 | G6 | 2 | 0 | Paige | 6.42 | 0.0 | 6.62 | 5.50 | -9.65 | 7.85 | -4.19 | 3.41 | 0.0099 | 510.25 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 1 | Paige | 6.42 | 0.0 | 6.93 | 6.24 | -10.58 | 8.41 | -4.59 | 3.65 | 0.0099 | 430.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 2 | Paige | 6.42 | 0.0 | 6.06 | 6.13 | -14.04 | 7.99 | -6.10 | 3.47 | 0.0124 | 350.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 3 | Paige | 6.42 | 0.0 | 5.73 | 7.39 | -16.35 | 8.62 | -7.10 | 3.75 | 0.0124 | 400.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 4 | Paige | 6.42 | 0.0 | 4.58 | 6.26 | -14.33 | 8.71 | -6.23 | 3.78 | 0.0099 | 470.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 5 | Paige | 6.42 | 0.0 | 4.10 | 6.31 | -12.98 | 8.52 | -5.64 | 3.70 | 0.0099 | 320.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 6 | Paige | 6.42 | 0.0 | 8.89 | 7.31 | -12.79 | 9.01 | -5.55 | 3.91 | 0.0155 | 430.15 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 7 | Paige | 6.42 | 0.0 | 7.21 | 5.96 | -10.40 | 8.40 | -4.52 | 3.65 | 0.0155 | 300.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 8 | Paige | 6.42 | 0.0 | 5.68 | 6.50 | -12.61 | 8.52 | -5.48 | 3.70 | 0.0193 | 420.1 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 9 | Paige | 6.42 | 0.0 | 5.85 | 5.35 | -12.27 | 7.76 | -5.33 | 3.37 | 0.0155 | 330.2 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 10 | Paige | 6.42 | 0.0 | 6.97 | 5.63 | -11.42 | 8.16 | -4.96 | 3.55 | 0.0099 | 410.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 11 | Paige | 6.42 | 0.0 | 5.38 | 5.88 | -14.77 | 8.09 | -6.41 | 3.51 | 0.0124 | 430.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 12 | Paige | 6.42 | 0.0 | 8.16 | 6.57 | -10.97 | 8.35 | -4.77 | 3.62 | 0.0079 | 300.4 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 13 | Paige | 6.42 | 0.0 | 7.57 | 5.40 | -10.34 | 7.94 | -4.49 | 3.45 | 0.0124 | 400.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 14 | Paige | 6.42 | 0.0 | 7.58 | 5.16 | -9.74 | 7.54 | -4.23 | 3.28 | 0.0193 | 180.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 15 | Paige | 6.42 | 0.0 | 5.74 | 6.55 | -8.34 | 8.73 | -3.62 | 3.79 | 0.0155 | 370.15 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 16 | Paige | 6.42 | 0.0 | 8.60 | 6.71 | -9.54 | 8.87 | -4.14 | 3.85 | 0.0155 | 230.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 17 | Paige | 6.42 | 0.0 | 3.94 | 6.30 | -11.62 | 8.50 | -5.04 | 3.69 | 0.0099 | 380.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 18 | Paige | 6.42 | 0.0 | 7.66 | 6.33 | -11.96 | 9.24 | -5.19 | 4.01 | 0.0099 | 310.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 19 | Paige | 6.42 | 0.0 | 7.56 | 6.12 | -7.78 | 8.26 | -3.38 | 3.59 | 0.0099 | 490.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 20 | Paige | 6.42 | 0.0 | 6.93 | 5.85 | -13.47 | 7.38 | -5.85 | 3.21 | 0.0124 | 450.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 21 | Paige | 6.42 | 0.0 | 6.82 | 6.71 | -12.51 | 8.58 | -5.43 | 3.72 | 0.0242 | 160.0 | False |
| 18433 | 12 | RL_8 | G6 | 2 | 22 | Paige | 6.42 | 0.0 | 7.13 | 5.94 | -5.94 | 7.65 | -2.58 | 3.32 | 0.0155 | 240.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 23 | Paige | 6.42 | 0.0 | 5.86 | 7.00 | -10.65 | 8.96 | -4.63 | 3.89 | 0.0124 | 360.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 24 | Paige | 6.42 | 0.0 | 4.35 | 6.34 | -14.38 | 9.15 | -6.25 | 3.97 | 0.0124 | 290.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 25 | Paige | 6.42 | 0.0 | 7.59 | 5.54 | -14.19 | 7.36 | -6.16 | 3.20 | 0.0124 | 450.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 26 | Paige | 6.42 | 0.0 | 5.78 | 6.27 | -10.19 | 8.52 | -4.42 | 3.70 | 0.0124 | 510.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 27 | Paige | 6.42 | 0.0 | 7.27 | 5.96 | -12.06 | 8.19 | -5.24 | 3.56 | 0.0099 | 370.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 28 | Paige | 6.42 | 0.0 | 5.22 | 5.66 | -15.89 | 7.27 | -6.90 | 3.16 | 0.0124 | 410.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 29 | Paige | 6.42 | 0.0 | 6.73 | 6.32 | -9.71 | 8.86 | -4.22 | 3.85 | 0.0079 | 500.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 30 | Paige | 6.42 | 0.0 | 6.11 | 6.52 | -11.58 | 9.08 | -5.03 | 3.94 | 0.0155 | 320.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 31 | Paige | 6.42 | 0.0 | 5.77 | 6.59 | -11.19 | 8.97 | -4.86 | 3.90 | 0.0193 | 320.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 32 | Paige | 6.42 | 0.0 | 5.59 | 7.35 | -11.79 | 8.93 | -5.12 | 3.88 | 0.0193 | 320.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 33 | Paige | 6.42 | 0.0 | 8.02 | 6.62 | -10.16 | 8.88 | -4.41 | 3.86 | 0.0124 | 210.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 34 | Paige | 6.42 | 0.0 | 3.68 | 6.06 | -14.09 | 8.24 | -6.12 | 3.58 | 0.0193 | 300.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 35 | Paige | 6.42 | 0.0 | 5.76 | 6.05 | -11.56 | 8.34 | -5.02 | 3.62 | 0.0124 | 340.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 36 | Paige | 6.42 | 0.0 | 9.61 | 4.81 | -9.09 | 7.71 | -3.95 | 3.35 | 0.0079 | 370.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 37 | Paige | 6.42 | 0.0 | 5.29 | 6.56 | -10.98 | 8.68 | -4.77 | 3.77 | 0.0193 | 310.1 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 38 | Paige | 6.42 | 0.0 | 5.63 | 5.53 | -15.94 | 7.09 | -6.92 | 3.08 | 0.0155 | 250.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 39 | Paige | 6.42 | 0.0 | 7.10 | 5.85 | -6.70 | 7.76 | -2.91 | 3.37 | 0.0124 | 390.1 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 40 | Paige | 6.42 | 0.0 | 8.10 | 5.19 | -9.09 | 7.87 | -3.95 | 3.42 | 0.0099 | 360.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 41 | Paige | 6.42 | 0.0 | 7.14 | 6.85 | -12.97 | 9.24 | -5.63 | 4.01 | 0.0124 | 410.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 42 | Paige | 6.42 | 0.0 | 6.21 | 5.94 | -12.46 | 8.32 | -5.41 | 3.61 | 0.0155 | 180.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 43 | Paige | 6.42 | 0.0 | 6.27 | 5.69 | -11.45 | 9.31 | -4.97 | 4.04 | 0.0124 | 420.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 44 | Paige | 6.42 | 0.0 | 2.93 | 6.95 | -14.63 | 9.28 | -6.35 | 4.03 | 0.0079 | 410.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 45 | Paige | 6.42 | 0.0 | 11.26 | 4.73 | -10.81 | 7.03 | -4.70 | 3.05 | 0.0155 | 190.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 46 | Paige | 6.42 | 0.0 | 4.44 | 6.53 | -11.76 | 8.40 | -5.11 | 3.65 | 0.0079 | 500.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 47 | Paige | 6.42 | 0.0 | 4.33 | 7.16 | -9.24 | 9.57 | -4.01 | 4.16 | 0.0242 | 250.0 | False |
| 18433 | 12 | RL_8 | G6 | 2 | 48 | Paige | 6.42 | 0.0 | 5.65 | 6.62 | -14.57 | 8.50 | -6.33 | 3.69 | 0.0155 | 310.0 | True |
| 18433 | 12 | RL_8 | G6 | 2 | 49 | Paige | 6.42 | 0.0 | 6.43 | 6.54 | -14.49 | 8.78 | -6.29 | 3.81 | 0.0099 | 260.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 12 | L | G6 | 2 | 0 | Paige | -22.69 | 5.60 | 0.0041 | 280.15 | True |
| 18434 | 12 | L | G6 | 2 | 1 | Paige | -23.92 | 5.64 | 0.0079 | 160.0 | True |
| 18434 | 12 | L | G6 | 2 | 2 | Paige | -26.52 | 5.14 | 0.0051 | 140.2 | True |
| 18434 | 12 | L | G6 | 2 | 3 | Paige | -28.50 | 4.44 | 0.0013 | 260.0 | True |
| 18434 | 12 | L | G6 | 2 | 4 | Paige | -25.33 | 6.07 | 0.0099 | 140.0 | True |
| 18434 | 12 | L | G6 | 2 | 5 | Paige | -23.50 | 5.72 | 0.0079 | 230.0 | True |
| 18434 | 12 | L | G6 | 2 | 6 | Paige | -28.10 | 5.26 | 0.0021 | 230.0 | True |
| 18434 | 12 | L | G6 | 2 | 7 | Paige | -24.02 | 5.92 | 0.0021 | 280.0 | True |
| 18434 | 12 | L | G6 | 2 | 8 | Paige | -24.70 | 5.51 | 0.0063 | 250.0 | True |
| 18434 | 12 | L | G6 | 2 | 9 | Paige | -24.53 | 5.62 | 0.0079 | 270.0 | True |
| 18434 | 12 | L | G6 | 2 | 10 | Paige | -24.81 | 5.92 | 0.0079 | 190.0 | True |
| 18434 | 12 | L | G6 | 2 | 11 | Paige | -26.56 | 5.55 | 0.0124 | 120.0 | False |
| 18434 | 12 | L | G6 | 2 | 12 | Paige | -25.55 | 5.15 | 0.0041 | 320.0 | True |
| 18434 | 12 | L | G6 | 2 | 13 | Paige | -24.33 | 5.82 | 0.0079 | 170.0 | True |
| 18434 | 12 | L | G6 | 2 | 14 | Paige | -23.53 | 5.48 | 0.0124 | 270.0 | False |
| 18434 | 12 | L | G6 | 2 | 15 | Paige | -20.49 | 5.78 | 0.0051 | 160.0 | True |
| 18434 | 12 | L | G6 | 2 | 16 | Paige | -24.55 | 5.80 | 0.0051 | 220.35 | True |
| 18434 | 12 | L | G6 | 2 | 17 | Paige | -21.97 | 5.71 | 0.0099 | 190.0 | True |
| 18434 | 12 | L | G6 | 2 | 18 | Paige | -26.04 | 6.73 | 0.0032 | 150.0 | True |
| 18434 | 12 | L | G6 | 2 | 19 | Paige | -21.75 | 5.55 | 0.0079 | 170.15 | True |
| 18434 | 12 | L | G6 | 2 | 20 | Paige | -26.82 | 4.51 | 0.0051 | 240.0 | True |
| 18434 | 12 | L | G6 | 2 | 21 | Paige | -25.75 | 5.34 | 0.0079 | 130.0 | True |
| 18434 | 12 | L | G6 | 2 | 22 | Paige | -19.80 | 4.84 | 0.0041 | 200.0 | True |
| 18434 | 12 | L | G6 | 2 | 23 | Paige | -22.92 | 5.59 | 0.0124 | 150.1 | False |
| 18434 | 12 | L | G6 | 2 | 24 | Paige | -25.15 | 6.60 | 0.0079 | 190.0 | True |
| 18434 | 12 | L | G6 | 2 | 25 | Paige | -28.20 | 4.84 | 0.0021 | 250.15 | True |
| 18434 | 12 | L | G6 | 2 | 26 | Paige | -22.38 | 5.77 | 0.0063 | 180.0 | True |
| 18434 | 12 | L | G6 | 2 | 27 | Paige | -25.74 | 5.62 | 0.0063 | 160.0 | True |
| 18434 | 12 | L | G6 | 2 | 28 | Paige | -27.53 | 4.55 | 0.0026 | 190.0 | True |
| 18434 | 12 | L | G6 | 2 | 29 | Paige | -22.85 | 6.21 | 0.0063 | 160.1 | True |
| 18434 | 12 | L | G6 | 2 | 30 | Paige | -24.10 | 6.32 | 0.0193 | 140.0 | False |
| 18434 | 12 | L | G6 | 2 | 31 | Paige | -23.37 | 6.09 | 0.0063 | 170.0 | True |
| 18434 | 12 | L | G6 | 2 | 32 | Paige | -23.80 | 5.06 | 0.0099 | 220.0 | True |
| 18434 | 12 | L | G6 | 2 | 33 | Paige | -24.59 | 5.91 | 0.0063 | 260.05 | True |
| 18434 | 12 | L | G6 | 2 | 34 | Paige | -24.18 | 5.59 | 0.0051 | 250.0 | True |
| 18434 | 12 | L | G6 | 2 | 35 | Paige | -23.74 | 5.74 | 0.0079 | 280.0 | True |
| 18434 | 12 | L | G6 | 2 | 36 | Paige | -25.09 | 5.92 | 0.0051 | 290.1 | True |
| 18434 | 12 | L | G6 | 2 | 37 | Paige | -22.69 | 5.69 | 0.0079 | 240.0 | True |
| 18434 | 12 | L | G6 | 2 | 38 | Paige | -27.99 | 4.45 | 0.0032 | 170.05 | True |
| 18434 | 12 | L | G6 | 2 | 39 | Paige | -20.72 | 5.32 | 0.0063 | 180.0 | True |
| 18434 | 12 | L | G6 | 2 | 40 | Paige | -23.61 | 5.91 | 0.0099 | 210.0 | True |
| 18434 | 12 | L | G6 | 2 | 41 | Paige | -26.65 | 6.11 | 0.0032 | 280.0 | True |
| 18434 | 12 | L | G6 | 2 | 42 | Paige | -25.08 | 5.83 | 0.0124 | 180.3 | False |
| 18434 | 12 | L | G6 | 2 | 43 | Paige | -24.13 | 7.37 | 0.0193 | 90.0 | False |
| 18434 | 12 | L | G6 | 2 | 44 | Paige | -23.97 | 6.15 | 0.0079 | 140.15 | True |
| 18434 | 12 | L | G6 | 2 | 45 | Paige | -28.49 | 5.20 | 0.0051 | 100.25 | True |
| 18434 | 12 | L | G6 | 2 | 46 | Paige | -22.61 | 5.28 | 0.0063 | 270.35 | True |
| 18434 | 12 | L | G6 | 2 | 47 | Paige | -19.99 | 6.35 | 0.0026 | 160.35 | True |
| 18434 | 12 | L | G6 | 2 | 48 | Paige | -26.63 | 5.32 | 0.0017 | 230.1 | True |
| 18434 | 12 | L | G6 | 2 | 49 | Paige | -26.77 | 5.92 | 0.0079 | 150.0 | True |