| 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 | 42 | RL_10 | G12 | 1 | 0 | Paige | 6.42 | 0.0 | 10.04 | 4.68 | -20.12 | 4.70 | -8.74 | 2.04 | 0.0193 | 210.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 1 | Paige | 6.42 | 0.0 | 8.32 | 4.88 | -21.94 | 4.90 | -9.53 | 2.13 | 0.0155 | 370.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 2 | Paige | 6.42 | 0.0 | 8.40 | 4.39 | -21.60 | 4.40 | -9.38 | 1.91 | 0.0155 | 320.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 3 | Paige | 6.42 | 0.0 | 7.86 | 4.19 | -22.34 | 4.21 | -9.70 | 1.83 | 0.0124 | 460.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 4 | Paige | 6.42 | 0.0 | 8.21 | 4.04 | -22.07 | 4.07 | -9.58 | 1.77 | 0.0155 | 400.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 5 | Paige | 6.42 | 0.0 | 9.97 | 4.83 | -20.21 | 4.88 | -8.78 | 2.12 | 0.0155 | 370.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 6 | Paige | 6.42 | 0.0 | 8.95 | 4.34 | -21.47 | 4.37 | -9.32 | 1.90 | 0.0155 | 350.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 7 | Paige | 6.42 | 0.0 | 9.03 | 4.14 | -21.36 | 4.19 | -9.28 | 1.82 | 0.0155 | 330.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 8 | Paige | 6.42 | 0.0 | 8.88 | 4.39 | -21.57 | 4.40 | -9.37 | 1.91 | 0.0124 | 560.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 9 | Paige | 6.42 | 0.0 | 8.92 | 4.49 | -21.33 | 4.52 | -9.26 | 1.96 | 0.0155 | 350.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 10 | Paige | 6.42 | 0.0 | 9.99 | 4.97 | -19.86 | 5.00 | -8.62 | 2.17 | 0.0193 | 380.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 11 | Paige | 6.42 | 0.0 | 7.28 | 4.40 | -22.94 | 4.43 | -9.96 | 1.93 | 0.0155 | 330.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 12 | Paige | 6.42 | 0.0 | 8.30 | 3.85 | -21.82 | 3.87 | -9.48 | 1.68 | 0.0124 | 390.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 13 | Paige | 6.42 | 0.0 | 7.75 | 3.81 | -22.59 | 3.85 | -9.81 | 1.67 | 0.0124 | 370.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 14 | Paige | 6.42 | 0.0 | 7.18 | 3.13 | -23.10 | 3.19 | -10.03 | 1.39 | 0.0124 | 310.3 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 15 | Paige | 6.42 | 0.0 | 9.63 | 4.65 | -20.50 | 4.69 | -8.90 | 2.04 | 0.0302 | 200.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 16 | Paige | 6.42 | 0.0 | 8.10 | 3.77 | -22.12 | 3.78 | -9.61 | 1.64 | 0.0099 | 340.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 17 | Paige | 6.42 | 0.0 | 6.85 | 2.98 | -23.32 | 3.01 | -10.13 | 1.31 | 0.0155 | 410.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 18 | Paige | 6.42 | 0.0 | 7.94 | 3.39 | -22.23 | 3.44 | -9.65 | 1.49 | 0.0124 | 360.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 19 | Paige | 6.42 | 0.0 | 7.93 | 4.72 | -22.27 | 4.75 | -9.67 | 2.06 | 0.0124 | 290.2 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 20 | Paige | 6.42 | 0.0 | 6.89 | 3.57 | -23.51 | 3.62 | -10.21 | 1.57 | 0.0099 | 250.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 21 | Paige | 6.42 | 0.0 | 9.07 | 4.90 | -21.16 | 4.95 | -9.19 | 2.15 | 0.0155 | 330.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 22 | Paige | 6.42 | 0.0 | 7.92 | 4.11 | -22.44 | 4.14 | -9.75 | 1.80 | 0.0193 | 230.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 23 | Paige | 6.42 | 0.0 | 8.78 | 5.57 | -21.38 | 5.59 | -9.29 | 2.43 | 0.0193 | 270.65 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 24 | Paige | 6.42 | 0.0 | 7.24 | 3.42 | -22.74 | 3.48 | -9.88 | 1.51 | 0.0193 | 260.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 25 | Paige | 6.42 | 0.0 | 8.41 | 4.10 | -21.97 | 4.16 | -9.54 | 1.81 | 0.0193 | 290.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 26 | Paige | 6.42 | 0.0 | 8.00 | 4.60 | -22.20 | 4.61 | -9.64 | 2.00 | 0.0302 | 260.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 27 | Paige | 6.42 | 0.0 | 8.58 | 5.12 | -21.83 | 5.13 | -9.48 | 2.23 | 0.0193 | 230.2 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 28 | Paige | 6.42 | 0.0 | 7.93 | 4.34 | -22.35 | 4.37 | -9.71 | 1.90 | 0.0124 | 430.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 29 | Paige | 6.42 | 0.0 | 9.13 | 4.70 | -21.10 | 4.72 | -9.17 | 2.05 | 0.0124 | 370.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 30 | Paige | 6.42 | 0.0 | 7.48 | 4.06 | -22.81 | 4.08 | -9.91 | 1.77 | 0.0155 | 310.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 31 | Paige | 6.42 | 0.0 | 7.76 | 3.44 | -22.51 | 3.45 | -9.77 | 1.50 | 0.0155 | 430.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 32 | Paige | 6.42 | 0.0 | 7.49 | 3.95 | -22.74 | 3.97 | -9.88 | 1.72 | 0.0193 | 230.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 33 | Paige | 6.42 | 0.0 | 8.22 | 3.92 | -21.95 | 4.01 | -9.53 | 1.74 | 0.0124 | 360.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 34 | Paige | 6.42 | 0.0 | 9.57 | 5.00 | -20.39 | 5.03 | -8.85 | 2.18 | 0.0193 | 330.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 35 | Paige | 6.42 | 0.0 | 7.73 | 3.34 | -22.41 | 3.35 | -9.73 | 1.46 | 0.0155 | 360.35 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 36 | Paige | 6.42 | 0.0 | 10.85 | 5.32 | -19.47 | 5.42 | -8.45 | 2.35 | 0.0193 | 350.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 37 | Paige | 6.42 | 0.0 | 8.03 | 3.56 | -22.16 | 3.57 | -9.62 | 1.55 | 0.0155 | 250.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 38 | Paige | 6.42 | 0.0 | 7.75 | 3.69 | -22.37 | 3.75 | -9.72 | 1.63 | 0.0124 | 420.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 39 | Paige | 6.42 | 0.0 | 8.90 | 4.21 | -21.27 | 4.24 | -9.24 | 1.84 | 0.0155 | 360.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 40 | Paige | 6.42 | 0.0 | 8.05 | 3.66 | -22.05 | 3.69 | -9.57 | 1.60 | 0.0124 | 230.3 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 41 | Paige | 6.42 | 0.0 | 8.68 | 4.67 | -21.60 | 4.69 | -9.38 | 2.04 | 0.0155 | 310.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 42 | Paige | 6.42 | 0.0 | 8.01 | 4.08 | -22.19 | 4.14 | -9.63 | 1.80 | 0.0099 | 390.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 43 | Paige | 6.42 | 0.0 | 10.11 | 5.83 | -20.31 | 5.86 | -8.82 | 2.55 | 0.0193 | 290.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 44 | Paige | 6.42 | 0.0 | 7.96 | 3.56 | -22.18 | 3.59 | -9.63 | 1.56 | 0.0124 | 350.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 45 | Paige | 6.42 | 0.0 | 8.88 | 4.50 | -21.47 | 4.52 | -9.32 | 1.96 | 0.0155 | 220.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 46 | Paige | 6.42 | 0.0 | 8.42 | 4.19 | -21.66 | 4.21 | -9.41 | 1.83 | 0.0124 | 340.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 47 | Paige | 6.42 | 0.0 | 7.06 | 3.57 | -23.21 | 3.59 | -10.08 | 1.56 | 0.0155 | 300.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 48 | Paige | 6.42 | 0.0 | 8.26 | 3.80 | -22.02 | 3.82 | -9.56 | 1.66 | 0.0124 | 360.0 | True |
| 18433 | 42 | RL_10 | G12 | 1 | 49 | Paige | 6.42 | 0.0 | 7.70 | 4.20 | -22.49 | 4.21 | -9.77 | 1.83 | 0.0193 | 250.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 21 | L | G12 | 1 | 0 | Paige | -36.57 | 0.47 | 0.0013 | 170.0 | True |
| 18434 | 21 | L | G12 | 1 | 1 | Paige | -36.67 | 0.40 | 0.0003 | 210.0 | True |
| 18434 | 21 | L | G12 | 1 | 2 | Paige | -36.44 | 0.39 | 0.0009 | 170.0 | True |
| 18434 | 21 | L | G12 | 1 | 3 | Paige | -36.61 | 0.44 | 0.0005 | 210.1 | True |
| 18434 | 21 | L | G12 | 1 | 4 | Paige | -36.70 | 0.52 | 0.0007 | 200.6 | True |
| 18434 | 21 | L | G12 | 1 | 5 | Paige | -36.59 | 0.69 | 0.0051 | 120.0 | True |
| 18434 | 21 | L | G12 | 1 | 6 | Paige | -36.83 | 0.49 | 0.0017 | 170.0 | True |
| 18434 | 21 | L | G12 | 1 | 7 | Paige | -36.81 | 0.66 | 0.0041 | 100.0 | True |
| 18434 | 21 | L | G12 | 1 | 8 | Paige | -36.86 | 0.39 | 0.0003 | 230.0 | True |
| 18434 | 21 | L | G12 | 1 | 9 | Paige | -36.66 | 0.50 | 0.0004 | 210.0 | True |
| 18434 | 21 | L | G12 | 1 | 10 | Paige | -36.26 | 0.57 | 0.0026 | 130.0 | True |
| 18434 | 21 | L | G12 | 1 | 11 | Paige | -36.63 | 0.55 | 0.0026 | 150.15 | True |
| 18434 | 21 | L | G12 | 1 | 12 | Paige | -36.54 | 0.37 | 0.0004 | 230.0 | True |
| 18434 | 21 | L | G12 | 1 | 13 | Paige | -36.76 | 0.51 | 0.0009 | 200.0 | True |
| 18434 | 21 | L | G12 | 1 | 14 | Paige | -36.70 | 0.63 | 0.0021 | 130.0 | True |
| 18434 | 21 | L | G12 | 1 | 15 | Paige | -36.54 | 0.55 | 0.0007 | 190.1 | True |
| 18434 | 21 | L | G12 | 1 | 16 | Paige | -36.64 | 0.31 | 0.0003 | 250.0 | True |
| 18434 | 21 | L | G12 | 1 | 17 | Paige | -36.60 | 0.39 | 0.0007 | 190.2 | True |
| 18434 | 21 | L | G12 | 1 | 18 | Paige | -36.58 | 0.57 | 0.0002 | 220.0 | True |
| 18434 | 21 | L | G12 | 1 | 19 | Paige | -36.61 | 0.53 | 0.0026 | 140.0 | True |
| 18434 | 21 | L | G12 | 1 | 20 | Paige | -36.82 | 0.58 | 0.0007 | 220.25 | True |
| 18434 | 21 | L | G12 | 1 | 21 | Paige | -36.64 | 0.65 | 0.0041 | 110.25 | True |
| 18434 | 21 | L | G12 | 1 | 22 | Paige | -36.78 | 0.46 | 0.0004 | 180.1 | True |
| 18434 | 21 | L | G12 | 1 | 23 | Paige | -36.58 | 0.54 | 0.0009 | 170.0 | True |
| 18434 | 21 | L | G12 | 1 | 24 | Paige | -36.40 | 0.59 | 0.0013 | 160.0 | True |
| 18434 | 21 | L | G12 | 1 | 25 | Paige | -36.79 | 0.69 | 0.0051 | 100.0 | True |
| 18434 | 21 | L | G12 | 1 | 26 | Paige | -36.62 | 0.35 | 0.0002 | 240.0 | True |
| 18434 | 21 | L | G12 | 1 | 27 | Paige | -36.82 | 0.38 | 0.0001 | 280.15 | True |
| 18434 | 21 | L | G12 | 1 | 28 | Paige | -36.70 | 0.52 | 0.0005 | 220.0 | True |
| 18434 | 21 | L | G12 | 1 | 29 | Paige | -36.65 | 0.40 | 0.0003 | 290.1 | True |
| 18434 | 21 | L | G12 | 1 | 30 | Paige | -36.70 | 0.40 | 0.0004 | 220.1 | True |
| 18434 | 21 | L | G12 | 1 | 31 | Paige | -36.68 | 0.29 | 0.0003 | 270.1 | True |
| 18434 | 21 | L | G12 | 1 | 32 | Paige | -36.65 | 0.43 | 0.0005 | 190.0 | True |
| 18434 | 21 | L | G12 | 1 | 33 | Paige | -36.59 | 0.83 | 0.0041 | 100.0 | True |
| 18434 | 21 | L | G12 | 1 | 34 | Paige | -36.38 | 0.56 | 0.0026 | 120.0 | True |
| 18434 | 21 | L | G12 | 1 | 35 | Paige | -36.55 | 0.34 | 0.0002 | 210.05 | True |
| 18434 | 21 | L | G12 | 1 | 36 | Paige | -36.73 | 1.02 | 0.0242 | 50.0 | True |
| 18434 | 21 | L | G12 | 1 | 37 | Paige | -36.61 | 0.36 | 0.0002 | 230.1 | True |
| 18434 | 21 | L | G12 | 1 | 38 | Paige | -36.56 | 0.60 | 0.0017 | 130.0 | True |
| 18434 | 21 | L | G12 | 1 | 39 | Paige | -36.59 | 0.50 | 0.0013 | 160.0 | True |
| 18434 | 21 | L | G12 | 1 | 40 | Paige | -36.51 | 0.40 | 0.0005 | 180.25 | True |
| 18434 | 21 | L | G12 | 1 | 41 | Paige | -36.69 | 0.45 | 0.0011 | 150.0 | True |
| 18434 | 21 | L | G12 | 1 | 42 | Paige | -36.61 | 0.71 | 0.0063 | 80.0 | True |
| 18434 | 21 | L | G12 | 1 | 43 | Paige | -36.84 | 0.57 | 0.0011 | 200.0 | True |
| 18434 | 21 | L | G12 | 1 | 44 | Paige | -36.55 | 0.44 | 0.0003 | 210.0 | True |
| 18434 | 21 | L | G12 | 1 | 45 | Paige | -36.76 | 0.41 | 0.0005 | 180.3 | True |
| 18434 | 21 | L | G12 | 1 | 46 | Paige | -36.50 | 0.46 | 0.0007 | 190.0 | True |
| 18434 | 21 | L | G12 | 1 | 47 | Paige | -36.69 | 0.42 | 0.0003 | 250.5 | True |
| 18434 | 21 | L | G12 | 1 | 48 | Paige | -36.69 | 0.35 | 0.0001 | 270.0 | True |
| 18434 | 21 | L | G12 | 1 | 49 | Paige | -36.61 | 0.40 | 0.0002 | 250.0 | True |