| 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 | 43 | RL_10 | G12 | 2 | 0 | Paige | 6.42 | 0.0 | 9.58 | 5.81 | -21.37 | 5.82 | -9.28 | 2.53 | 0.0124 | 300.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 1 | Paige | 6.42 | 0.0 | 9.80 | 6.52 | -21.26 | 6.53 | -9.23 | 2.84 | 0.0193 | 330.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 2 | Paige | 6.42 | 0.0 | 8.20 | 4.23 | -22.83 | 4.26 | -9.92 | 1.85 | 0.0193 | 360.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 3 | Paige | 6.42 | 0.0 | 8.32 | 5.50 | -22.58 | 5.51 | -9.81 | 2.39 | 0.0193 | 240.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 4 | Paige | 6.42 | 0.0 | 6.57 | 3.47 | -24.36 | 3.49 | -10.58 | 1.52 | 0.0193 | 280.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 5 | Paige | 6.42 | 0.0 | 7.86 | 4.03 | -23.19 | 4.06 | -10.07 | 1.76 | 0.0193 | 330.1 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 6 | Paige | 6.42 | 0.0 | 8.19 | 4.22 | -22.91 | 4.26 | -9.95 | 1.85 | 0.0155 | 290.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 7 | Paige | 6.42 | 0.0 | 7.64 | 4.04 | -23.40 | 4.07 | -10.16 | 1.77 | 0.0155 | 280.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 8 | Paige | 6.42 | 0.0 | 6.44 | 3.22 | -24.55 | 3.26 | -10.66 | 1.41 | 0.0099 | 330.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 9 | Paige | 6.42 | 0.0 | 8.46 | 4.87 | -22.57 | 4.89 | -9.80 | 2.12 | 0.0242 | 280.0 | False |
| 18433 | 43 | RL_10 | G12 | 2 | 10 | Paige | 6.42 | 0.0 | 7.33 | 3.47 | -23.66 | 3.50 | -10.28 | 1.52 | 0.0155 | 260.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 11 | Paige | 6.42 | 0.0 | 6.78 | 4.09 | -24.25 | 4.11 | -10.53 | 1.79 | 0.0242 | 230.0 | False |
| 18433 | 43 | RL_10 | G12 | 2 | 12 | Paige | 6.42 | 0.0 | 7.60 | 2.81 | -23.65 | 2.87 | -10.27 | 1.25 | 0.0124 | 330.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 13 | Paige | 6.42 | 0.0 | 7.28 | 3.83 | -23.69 | 3.85 | -10.29 | 1.67 | 0.0124 | 340.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 14 | Paige | 6.42 | 0.0 | 9.18 | 5.29 | -21.91 | 5.33 | -9.52 | 2.32 | 0.0193 | 250.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 15 | Paige | 6.42 | 0.0 | 7.58 | 4.60 | -23.38 | 4.62 | -10.15 | 2.01 | 0.0155 | 450.2 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 16 | Paige | 6.42 | 0.0 | 7.62 | 4.36 | -23.35 | 4.36 | -10.14 | 1.90 | 0.0193 | 330.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 17 | Paige | 6.42 | 0.0 | 8.63 | 5.48 | -22.43 | 5.49 | -9.74 | 2.39 | 0.0242 | 250.0 | False |
| 18433 | 43 | RL_10 | G12 | 2 | 18 | Paige | 6.42 | 0.0 | 7.95 | 4.54 | -23.16 | 4.56 | -10.06 | 1.98 | 0.0193 | 380.1 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 19 | Paige | 6.42 | 0.0 | 9.80 | 4.74 | -21.18 | 4.75 | -9.20 | 2.06 | 0.0155 | 390.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 20 | Paige | 6.42 | 0.0 | 7.42 | 4.70 | -23.67 | 4.72 | -10.28 | 2.05 | 0.0302 | 260.1 | False |
| 18433 | 43 | RL_10 | G12 | 2 | 21 | Paige | 6.42 | 0.0 | 8.30 | 5.85 | -22.68 | 5.86 | -9.85 | 2.55 | 0.0124 | 320.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 22 | Paige | 6.42 | 0.0 | 8.95 | 4.58 | -22.07 | 4.60 | -9.59 | 2.00 | 0.0193 | 210.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 23 | Paige | 6.42 | 0.0 | 7.00 | 3.76 | -24.08 | 3.78 | -10.46 | 1.64 | 0.0155 | 340.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 24 | Paige | 6.42 | 0.0 | 6.07 | 3.89 | -24.88 | 3.92 | -10.81 | 1.70 | 0.0155 | 290.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 25 | Paige | 6.42 | 0.0 | 8.00 | 4.17 | -23.05 | 4.19 | -10.01 | 1.82 | 0.0155 | 310.2 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 26 | Paige | 6.42 | 0.0 | 8.87 | 3.62 | -22.34 | 3.65 | -9.70 | 1.58 | 0.0124 | 310.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 27 | Paige | 6.42 | 0.0 | 8.00 | 4.67 | -22.89 | 4.68 | -9.94 | 2.03 | 0.0124 | 390.1 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 28 | Paige | 6.42 | 0.0 | 7.46 | 4.22 | -23.47 | 4.24 | -10.19 | 1.84 | 0.0124 | 400.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 29 | Paige | 6.42 | 0.0 | 9.04 | 4.99 | -22.00 | 5.01 | -9.55 | 2.18 | 0.0155 | 270.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 30 | Paige | 6.42 | 0.0 | 7.03 | 3.09 | -24.02 | 3.10 | -10.43 | 1.35 | 0.0099 | 420.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 31 | Paige | 6.42 | 0.0 | 8.71 | 5.19 | -22.34 | 5.21 | -9.70 | 2.26 | 0.0155 | 440.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 32 | Paige | 6.42 | 0.0 | 9.08 | 4.87 | -22.16 | 4.88 | -9.62 | 2.12 | 0.0155 | 420.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 33 | Paige | 6.42 | 0.0 | 8.08 | 3.65 | -22.81 | 3.68 | -9.91 | 1.60 | 0.0155 | 290.2 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 34 | Paige | 6.42 | 0.0 | 7.72 | 4.71 | -23.42 | 4.72 | -10.17 | 2.05 | 0.0155 | 300.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 35 | Paige | 6.42 | 0.0 | 6.34 | 3.69 | -24.69 | 3.71 | -10.72 | 1.61 | 0.0099 | 330.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 36 | Paige | 6.42 | 0.0 | 9.02 | 5.18 | -21.89 | 5.20 | -9.51 | 2.26 | 0.0155 | 390.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 37 | Paige | 6.42 | 0.0 | 8.11 | 4.66 | -22.90 | 4.68 | -9.94 | 2.03 | 0.0099 | 310.4 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 38 | Paige | 6.42 | 0.0 | 6.67 | 2.85 | -24.58 | 2.89 | -10.68 | 1.25 | 0.0124 | 320.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 39 | Paige | 6.42 | 0.0 | 8.57 | 4.37 | -22.35 | 4.39 | -9.71 | 1.91 | 0.0155 | 280.1 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 40 | Paige | 6.42 | 0.0 | 7.70 | 3.62 | -23.45 | 3.65 | -10.19 | 1.59 | 0.0124 | 340.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 41 | Paige | 6.42 | 0.0 | 8.59 | 3.19 | -22.47 | 3.22 | -9.76 | 1.40 | 0.0155 | 240.1 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 42 | Paige | 6.42 | 0.0 | 8.44 | 3.90 | -22.57 | 3.92 | -9.80 | 1.70 | 0.0124 | 350.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 43 | Paige | 6.42 | 0.0 | 7.22 | 3.95 | -23.88 | 3.97 | -10.37 | 1.72 | 0.0099 | 350.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 44 | Paige | 6.42 | 0.0 | 8.00 | 4.13 | -23.03 | 4.18 | -10.00 | 1.81 | 0.0193 | 310.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 45 | Paige | 6.42 | 0.0 | 10.03 | 6.31 | -21.08 | 6.33 | -9.15 | 2.75 | 0.0242 | 230.0 | False |
| 18433 | 43 | RL_10 | G12 | 2 | 46 | Paige | 6.42 | 0.0 | 7.55 | 4.02 | -23.52 | 4.04 | -10.21 | 1.75 | 0.0155 | 370.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 47 | Paige | 6.42 | 0.0 | 8.18 | 4.22 | -22.96 | 4.24 | -9.97 | 1.84 | 0.0242 | 250.0 | False |
| 18433 | 43 | RL_10 | G12 | 2 | 48 | Paige | 6.42 | 0.0 | 8.15 | 4.40 | -23.02 | 4.44 | -10.00 | 1.93 | 0.0193 | 260.0 | True |
| 18433 | 43 | RL_10 | G12 | 2 | 49 | Paige | 6.42 | 0.0 | 8.97 | 6.90 | -21.95 | 6.92 | -9.53 | 3.01 | 0.0155 | 290.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 22 | L | G12 | 2 | 0 | Paige | -37.37 | 0.43 | 0.0003 | 260.0 | True |
| 18434 | 22 | L | G12 | 2 | 1 | Paige | -37.48 | 0.44 | 0.0026 | 100.0 | True |
| 18434 | 22 | L | G12 | 2 | 2 | Paige | -37.45 | 0.46 | 0.0004 | 220.0 | True |
| 18434 | 22 | L | G12 | 2 | 3 | Paige | -37.31 | 0.35 | 0.0001 | 260.05 | True |
| 18434 | 22 | L | G12 | 2 | 4 | Paige | -37.34 | 0.34 | 0.0001 | 280.0 | True |
| 18434 | 22 | L | G12 | 2 | 5 | Paige | -37.45 | 0.49 | 0.0011 | 160.0 | True |
| 18434 | 22 | L | G12 | 2 | 6 | Paige | -37.52 | 0.56 | 0.0005 | 180.25 | True |
| 18434 | 22 | L | G12 | 2 | 7 | Paige | -37.46 | 0.48 | 0.0007 | 190.0 | True |
| 18434 | 22 | L | G12 | 2 | 8 | Paige | -37.40 | 0.48 | 0.0011 | 230.05 | True |
| 18434 | 22 | L | G12 | 2 | 9 | Paige | -37.44 | 0.39 | 0.0003 | 250.1 | True |
| 18434 | 22 | L | G12 | 2 | 10 | Paige | -37.41 | 0.46 | 0.0011 | 170.05 | True |
| 18434 | 22 | L | G12 | 2 | 11 | Paige | -37.45 | 0.37 | 0.0005 | 230.0 | True |
| 18434 | 22 | L | G12 | 2 | 12 | Paige | -37.67 | 0.58 | 0.0026 | 170.1 | True |
| 18434 | 22 | L | G12 | 2 | 13 | Paige | -37.38 | 0.37 | 0.0007 | 220.0 | True |
| 18434 | 22 | L | G12 | 2 | 14 | Paige | -37.51 | 0.67 | 0.0026 | 130.0 | True |
| 18434 | 22 | L | G12 | 2 | 15 | Paige | -37.39 | 0.46 | 0.0007 | 190.0 | True |
| 18434 | 22 | L | G12 | 2 | 16 | Paige | -37.39 | 0.26 | 0.0001 | 280.25 | True |
| 18434 | 22 | L | G12 | 2 | 17 | Paige | -37.48 | 0.35 | 0.0005 | 230.15 | True |
| 18434 | 22 | L | G12 | 2 | 18 | Paige | -37.52 | 0.44 | 0.0011 | 160.0 | True |
| 18434 | 22 | L | G12 | 2 | 19 | Paige | -37.40 | 0.39 | 0.0001 | 250.1 | True |
| 18434 | 22 | L | G12 | 2 | 20 | Paige | -37.50 | 0.40 | 0.0004 | 220.1 | True |
| 18434 | 22 | L | G12 | 2 | 21 | Paige | -37.39 | 0.34 | 0.0002 | 240.0 | True |
| 18434 | 22 | L | G12 | 2 | 22 | Paige | -37.43 | 0.47 | 0.0013 | 140.0 | True |
| 18434 | 22 | L | G12 | 2 | 23 | Paige | -37.50 | 0.43 | 0.0009 | 180.05 | True |
| 18434 | 22 | L | G12 | 2 | 24 | Paige | -37.37 | 0.43 | 0.0009 | 190.0 | True |
| 18434 | 22 | L | G12 | 2 | 25 | Paige | -37.46 | 0.36 | 0.0003 | 240.0 | True |
| 18434 | 22 | L | G12 | 2 | 26 | Paige | -37.62 | 0.44 | 0.0013 | 170.0 | True |
| 18434 | 22 | L | G12 | 2 | 27 | Paige | -37.30 | 0.32 | 0.0002 | 270.0 | True |
| 18434 | 22 | L | G12 | 2 | 28 | Paige | -37.34 | 0.44 | 0.0005 | 220.0 | True |
| 18434 | 22 | L | G12 | 2 | 29 | Paige | -37.46 | 0.43 | 0.0007 | 260.0 | True |
| 18434 | 22 | L | G12 | 2 | 30 | Paige | -37.46 | 0.32 | 0.0003 | 240.15 | True |
| 18434 | 22 | L | G12 | 2 | 31 | Paige | -37.47 | 0.40 | 0.0009 | 190.1 | True |
| 18434 | 22 | L | G12 | 2 | 32 | Paige | -37.66 | 0.31 | 0.0002 | 220.0 | True |
| 18434 | 22 | L | G12 | 2 | 33 | Paige | -37.31 | 0.47 | 0.0011 | 200.0 | True |
| 18434 | 22 | L | G12 | 2 | 34 | Paige | -37.55 | 0.28 | 0.0013 | 170.0 | True |
| 18434 | 22 | L | G12 | 2 | 35 | Paige | -37.44 | 0.36 | 0.0002 | 280.0 | True |
| 18434 | 22 | L | G12 | 2 | 36 | Paige | -37.32 | 0.49 | 0.0011 | 160.35 | True |
| 18434 | 22 | L | G12 | 2 | 37 | Paige | -37.42 | 0.40 | 0.0005 | 210.0 | True |
| 18434 | 22 | L | G12 | 2 | 38 | Paige | -37.67 | 0.44 | 0.0017 | 180.0 | True |
| 18434 | 22 | L | G12 | 2 | 39 | Paige | -37.34 | 0.43 | 0.0009 | 180.15 | True |
| 18434 | 22 | L | G12 | 2 | 40 | Paige | -37.57 | 0.47 | 0.0021 | 120.0 | True |
| 18434 | 22 | L | G12 | 2 | 41 | Paige | -37.48 | 0.41 | 0.0003 | 300.1 | True |
| 18434 | 22 | L | G12 | 2 | 42 | Paige | -37.43 | 0.34 | 0.0001 | 270.7 | True |
| 18434 | 22 | L | G12 | 2 | 43 | Paige | -37.51 | 0.37 | 0.0009 | 200.0 | True |
| 18434 | 22 | L | G12 | 2 | 44 | Paige | -37.45 | 0.62 | 0.0026 | 120.35 | True |
| 18434 | 22 | L | G12 | 2 | 45 | Paige | -37.52 | 0.49 | 0.0026 | 140.0 | True |
| 18434 | 22 | L | G12 | 2 | 46 | Paige | -37.48 | 0.41 | 0.0004 | 200.25 | True |
| 18434 | 22 | L | G12 | 2 | 47 | Paige | -37.55 | 0.38 | 0.0003 | 210.0 | True |
| 18434 | 22 | L | G12 | 2 | 48 | Paige | -37.59 | 0.62 | 0.0051 | 90.0 | True |
| 18434 | 22 | L | G12 | 2 | 49 | Paige | -37.33 | 0.57 | 0.0026 | 120.1 | True |