| 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 | 65 | RL_12 | G12 | 1 | 0 | Paige | 6.42 | 0.0 | 6.40 | 4.06 | -23.75 | 4.08 | -10.32 | 1.77 | 0.0193 | 360.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 1 | Paige | 6.42 | 0.0 | 5.46 | 3.76 | -24.80 | 3.78 | -10.77 | 1.64 | 0.0124 | 270.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 2 | Paige | 6.42 | 0.0 | 7.45 | 4.91 | -22.58 | 4.93 | -9.81 | 2.14 | 0.0193 | 390.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 3 | Paige | 6.42 | 0.0 | 5.60 | 4.69 | -24.60 | 4.71 | -10.68 | 2.05 | 0.0242 | 280.0 | False |
| 18433 | 65 | RL_12 | G12 | 1 | 4 | Paige | 6.42 | 0.0 | 7.32 | 5.06 | -22.96 | 5.09 | -9.97 | 2.21 | 0.0155 | 350.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 5 | Paige | 6.42 | 0.0 | 6.74 | 4.35 | -23.44 | 4.41 | -10.18 | 1.91 | 0.0242 | 250.0 | False |
| 18433 | 65 | RL_12 | G12 | 1 | 6 | Paige | 6.42 | 0.0 | 6.14 | 3.42 | -24.28 | 3.46 | -10.54 | 1.50 | 0.0124 | 280.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 7 | Paige | 6.42 | 0.0 | 6.38 | 3.55 | -24.01 | 3.61 | -10.43 | 1.57 | 0.0155 | 370.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 8 | Paige | 6.42 | 0.0 | 6.78 | 4.41 | -23.67 | 4.43 | -10.28 | 1.92 | 0.0242 | 310.0 | False |
| 18433 | 65 | RL_12 | G12 | 1 | 9 | Paige | 6.42 | 0.0 | 6.11 | 4.60 | -24.14 | 4.63 | -10.48 | 2.01 | 0.0242 | 170.0 | False |
| 18433 | 65 | RL_12 | G12 | 1 | 10 | Paige | 6.42 | 0.0 | 6.03 | 4.22 | -23.81 | 4.26 | -10.34 | 1.85 | 0.0155 | 270.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 11 | Paige | 6.42 | 0.0 | 6.78 | 4.42 | -23.44 | 4.45 | -10.18 | 1.93 | 0.0155 | 380.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 12 | Paige | 6.42 | 0.0 | 7.91 | 4.03 | -22.21 | 4.05 | -9.64 | 1.76 | 0.0155 | 440.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 13 | Paige | 6.42 | 0.0 | 8.09 | 4.94 | -22.26 | 4.97 | -9.67 | 2.16 | 0.0155 | 400.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 14 | Paige | 6.42 | 0.0 | 7.42 | 4.37 | -22.86 | 4.41 | -9.93 | 1.92 | 0.0193 | 210.2 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 15 | Paige | 6.42 | 0.0 | 5.62 | 3.52 | -24.51 | 3.57 | -10.64 | 1.55 | 0.0155 | 310.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 16 | Paige | 6.42 | 0.0 | 8.08 | 4.67 | -22.15 | 4.68 | -9.62 | 2.03 | 0.0124 | 450.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 17 | Paige | 6.42 | 0.0 | 6.64 | 4.40 | -23.55 | 4.42 | -10.23 | 1.92 | 0.0193 | 340.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 18 | Paige | 6.42 | 0.0 | 8.07 | 6.07 | -22.10 | 6.10 | -9.60 | 2.65 | 0.0193 | 240.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 19 | Paige | 6.42 | 0.0 | 6.51 | 4.90 | -23.69 | 4.93 | -10.29 | 2.14 | 0.0242 | 250.0 | False |
| 18433 | 65 | RL_12 | G12 | 1 | 20 | Paige | 6.42 | 0.0 | 5.31 | 3.23 | -25.09 | 3.28 | -10.90 | 1.42 | 0.0155 | 300.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 21 | Paige | 6.42 | 0.0 | 6.37 | 3.79 | -23.86 | 3.85 | -10.36 | 1.67 | 0.0193 | 340.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 22 | Paige | 6.42 | 0.0 | 6.87 | 3.77 | -23.50 | 3.80 | -10.20 | 1.65 | 0.0124 | 350.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 23 | Paige | 6.42 | 0.0 | 7.00 | 5.36 | -23.17 | 5.38 | -10.06 | 2.34 | 0.0124 | 330.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 24 | Paige | 6.42 | 0.0 | 7.64 | 4.40 | -22.34 | 4.44 | -9.70 | 1.93 | 0.0193 | 350.15 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 25 | Paige | 6.42 | 0.0 | 6.80 | 4.19 | -23.58 | 4.25 | -10.24 | 1.84 | 0.0155 | 320.1 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 26 | Paige | 6.42 | 0.0 | 6.85 | 4.33 | -23.36 | 4.34 | -10.14 | 1.89 | 0.0193 | 320.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 27 | Paige | 6.42 | 0.0 | 8.07 | 5.52 | -22.34 | 5.54 | -9.70 | 2.40 | 0.0193 | 360.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 28 | Paige | 6.42 | 0.0 | 6.99 | 4.52 | -23.30 | 4.55 | -10.12 | 1.98 | 0.0155 | 350.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 29 | Paige | 6.42 | 0.0 | 6.57 | 4.48 | -23.66 | 4.49 | -10.28 | 1.95 | 0.0193 | 280.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 30 | Paige | 6.42 | 0.0 | 7.67 | 5.15 | -22.61 | 5.17 | -9.82 | 2.25 | 0.0155 | 470.3 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 31 | Paige | 6.42 | 0.0 | 6.12 | 3.74 | -24.15 | 3.76 | -10.49 | 1.63 | 0.0155 | 230.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 32 | Paige | 6.42 | 0.0 | 6.82 | 4.01 | -23.41 | 4.03 | -10.17 | 1.75 | 0.0193 | 270.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 33 | Paige | 6.42 | 0.0 | 5.48 | 3.65 | -24.69 | 3.74 | -10.72 | 1.62 | 0.0155 | 320.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 34 | Paige | 6.42 | 0.0 | 6.41 | 4.08 | -23.55 | 4.12 | -10.23 | 1.79 | 0.0124 | 480.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 35 | Paige | 6.42 | 0.0 | 8.21 | 4.10 | -21.92 | 4.12 | -9.52 | 1.79 | 0.0124 | 420.05 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 36 | Paige | 6.42 | 0.0 | 7.30 | 4.98 | -23.02 | 5.09 | -10.00 | 2.21 | 0.0155 | 250.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 37 | Paige | 6.42 | 0.0 | 6.65 | 4.43 | -23.54 | 4.44 | -10.23 | 1.93 | 0.0155 | 290.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 38 | Paige | 6.42 | 0.0 | 7.85 | 5.76 | -22.30 | 5.79 | -9.68 | 2.51 | 0.0302 | 170.0 | False |
| 18433 | 65 | RL_12 | G12 | 1 | 39 | Paige | 6.42 | 0.0 | 6.94 | 3.93 | -23.23 | 3.96 | -10.09 | 1.72 | 0.0193 | 360.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 40 | Paige | 6.42 | 0.0 | 7.70 | 4.25 | -22.39 | 4.27 | -9.73 | 1.85 | 0.0193 | 370.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 41 | Paige | 6.42 | 0.0 | 5.95 | 4.16 | -24.33 | 4.18 | -10.57 | 1.82 | 0.0193 | 360.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 42 | Paige | 6.42 | 0.0 | 6.15 | 3.82 | -24.05 | 3.88 | -10.44 | 1.69 | 0.0155 | 350.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 43 | Paige | 6.42 | 0.0 | 6.78 | 4.47 | -23.65 | 4.51 | -10.27 | 1.96 | 0.0155 | 360.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 44 | Paige | 6.42 | 0.0 | 6.68 | 5.53 | -23.45 | 5.55 | -10.18 | 2.41 | 0.0155 | 400.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 45 | Paige | 6.42 | 0.0 | 6.27 | 3.96 | -24.08 | 3.98 | -10.46 | 1.73 | 0.0193 | 210.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 46 | Paige | 6.42 | 0.0 | 7.11 | 4.66 | -22.97 | 4.69 | -9.98 | 2.04 | 0.0193 | 370.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 47 | Paige | 6.42 | 0.0 | 5.51 | 4.23 | -24.76 | 4.25 | -10.75 | 1.84 | 0.0155 | 240.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 48 | Paige | 6.42 | 0.0 | 6.16 | 3.37 | -24.11 | 3.38 | -10.47 | 1.47 | 0.0155 | 450.0 | True |
| 18433 | 65 | RL_12 | G12 | 1 | 49 | Paige | 6.42 | 0.0 | 6.70 | 4.45 | -23.50 | 4.47 | -10.21 | 1.94 | 0.0124 | 340.1 | 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 | False |
| 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 |