| 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 | 46 | RL_12 | G1 | 2 | 0 | Matt | 6.42 | 0.0 | 15.53 | 5.79 | -5.31 | 6.64 | -2.30 | 2.88 | 0.0193 | 500.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 1 | Matt | 6.42 | 0.0 | 15.53 | 6.18 | -3.13 | 7.27 | -1.36 | 3.16 | 0.0193 | 240.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 2 | Matt | 6.42 | 0.0 | 16.68 | 5.68 | -3.54 | 6.06 | -1.54 | 2.63 | 0.0193 | 360.1 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 3 | Matt | 6.42 | 0.0 | 13.99 | 7.41 | -3.12 | 7.92 | -1.36 | 3.44 | 0.0378 | 320.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 4 | Matt | 6.42 | 0.0 | 17.31 | 6.58 | -2.24 | 7.90 | -0.97 | 3.43 | 0.0302 | 270.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 5 | Matt | 6.42 | 0.0 | 15.71 | 5.13 | -3.29 | 6.80 | -1.43 | 2.95 | 0.0193 | 270.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 6 | Matt | 6.42 | 0.0 | 14.39 | 7.44 | -5.00 | 8.53 | -2.17 | 3.70 | 0.0378 | 290.35 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 7 | Matt | 6.42 | 0.0 | 15.24 | 4.97 | -2.00 | 6.06 | -0.87 | 2.63 | 0.0193 | 160.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 8 | Matt | 6.42 | 0.0 | 15.96 | 6.23 | -1.76 | 6.76 | -0.77 | 2.93 | 0.0193 | 340.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 9 | Matt | 6.42 | 0.0 | 16.58 | 4.84 | -1.94 | 6.04 | -0.84 | 2.62 | 0.0302 | 190.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 10 | Matt | 6.42 | 0.0 | 15.29 | 6.86 | -3.61 | 7.23 | -1.57 | 3.14 | 0.0242 | 320.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 11 | Matt | 6.42 | 0.0 | 14.78 | 5.94 | -4.23 | 8.03 | -1.84 | 3.49 | 0.0193 | 480.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 12 | Matt | 6.42 | 0.0 | 16.87 | 6.05 | -0.61 | 7.02 | -0.26 | 3.05 | 0.0242 | 270.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 13 | Matt | 6.42 | 0.0 | 17.11 | 6.55 | -1.23 | 7.64 | -0.53 | 3.32 | 0.0302 | 380.1 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 14 | Matt | 6.42 | 0.0 | 15.96 | 5.57 | -0.51 | 7.00 | -0.22 | 3.04 | 0.0242 | 400.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 15 | Matt | 6.42 | 0.0 | 14.65 | 5.59 | -4.08 | 7.20 | -1.77 | 3.13 | 0.0193 | 370.5 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 16 | Matt | 6.42 | 0.0 | 15.80 | 7.56 | -3.76 | 8.57 | -1.63 | 3.72 | 0.0302 | 410.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 17 | Matt | 6.42 | 0.0 | 15.53 | 6.27 | -3.21 | 7.38 | -1.39 | 3.20 | 0.0193 | 320.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 18 | Matt | 6.42 | 0.0 | 15.43 | 6.10 | -2.32 | 7.22 | -1.01 | 3.13 | 0.0193 | 410.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 19 | Matt | 6.42 | 0.0 | 16.60 | 6.24 | -0.08 | 7.25 | -0.03 | 3.15 | 0.0155 | 360.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 20 | Matt | 6.42 | 0.0 | 17.07 | 6.22 | -1.88 | 7.67 | -0.81 | 3.33 | 0.0193 | 320.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 21 | Matt | 6.42 | 0.0 | 16.03 | 5.31 | -2.72 | 7.14 | -1.18 | 3.10 | 0.0378 | 340.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 22 | Matt | 6.42 | 0.0 | 14.31 | 6.88 | -4.03 | 7.82 | -1.75 | 3.40 | 0.0472 | 140.3 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 23 | Matt | 6.42 | 0.0 | 16.39 | 5.73 | -2.08 | 6.95 | -0.90 | 3.02 | 0.0193 | 370.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 24 | Matt | 6.42 | 0.0 | 16.95 | 7.10 | -3.58 | 7.73 | -1.55 | 3.36 | 0.0242 | 320.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 25 | Matt | 6.42 | 0.0 | 16.57 | 5.85 | -3.38 | 7.49 | -1.47 | 3.25 | 0.0155 | 410.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 26 | Matt | 6.42 | 0.0 | 11.62 | 6.84 | -9.58 | 8.38 | -4.16 | 3.64 | 0.0302 | 150.2 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 27 | Matt | 6.42 | 0.0 | 16.71 | 6.57 | -0.95 | 7.79 | -0.41 | 3.38 | 0.0193 | 440.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 28 | Matt | 6.42 | 0.0 | 16.10 | 5.02 | -2.97 | 5.89 | -1.29 | 2.56 | 0.0193 | 440.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 29 | Matt | 6.42 | 0.0 | 15.30 | 5.56 | -3.32 | 6.79 | -1.44 | 2.95 | 0.0193 | 290.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 30 | Matt | 6.42 | 0.0 | 14.97 | 5.65 | -4.41 | 6.36 | -1.91 | 2.76 | 0.0242 | 290.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 31 | Matt | 6.42 | 0.0 | 17.89 | 7.23 | 2.11 | 8.00 | 0.92 | 3.47 | 0.0242 | 430.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 32 | Matt | 6.42 | 0.0 | 14.76 | 6.12 | -3.88 | 7.41 | -1.68 | 3.22 | 0.0378 | 170.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 33 | Matt | 6.42 | 0.0 | 16.26 | 4.52 | -0.95 | 6.11 | -0.41 | 2.65 | 0.0155 | 270.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 34 | Matt | 6.42 | 0.0 | 15.55 | 6.17 | -1.63 | 8.09 | -0.71 | 3.51 | 0.0302 | 340.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 35 | Matt | 6.42 | 0.0 | 16.71 | 5.08 | -2.12 | 6.60 | -0.92 | 2.87 | 0.0193 | 410.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 36 | Matt | 6.42 | 0.0 | 15.39 | 6.57 | -2.86 | 7.71 | -1.24 | 3.35 | 0.0302 | 360.2 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 37 | Matt | 6.42 | 0.0 | 17.08 | 5.88 | -0.46 | 6.96 | -0.20 | 3.02 | 0.0242 | 230.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 38 | Matt | 6.42 | 0.0 | 14.72 | 5.67 | -4.47 | 6.72 | -1.94 | 2.92 | 0.0155 | 390.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 39 | Matt | 6.42 | 0.0 | 15.26 | 5.78 | -5.01 | 6.94 | -2.18 | 3.01 | 0.0155 | 350.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 40 | Matt | 6.42 | 0.0 | 17.59 | 5.81 | 0.36 | 6.94 | 0.16 | 3.02 | 0.0242 | 360.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 41 | Matt | 6.42 | 0.0 | 15.19 | 5.07 | -4.37 | 5.73 | -1.90 | 2.49 | 0.0302 | 220.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 42 | Matt | 6.42 | 0.0 | 16.32 | 5.95 | -2.19 | 6.99 | -0.95 | 3.04 | 0.0155 | 290.0 | True |
| 18433 | 46 | RL_12 | G1 | 2 | 43 | Matt | 6.42 | 0.0 | 15.61 | 5.40 | -2.81 | 6.49 | -1.22 | 2.82 | 0.0242 | 510.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 44 | Matt | 6.42 | 0.0 | 15.10 | 6.95 | -2.03 | 8.24 | -0.88 | 3.58 | 0.0302 | 280.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 45 | Matt | 6.42 | 0.0 | 16.43 | 5.90 | -1.51 | 7.36 | -0.66 | 3.20 | 0.0302 | 230.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 46 | Matt | 6.42 | 0.0 | 16.22 | 5.46 | -3.27 | 6.23 | -1.42 | 2.71 | 0.0472 | 180.3 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 47 | Matt | 6.42 | 0.0 | 14.55 | 6.10 | -4.04 | 7.93 | -1.75 | 3.44 | 0.0242 | 260.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 48 | Matt | 6.42 | 0.0 | 14.38 | 6.18 | -5.07 | 7.25 | -2.20 | 3.15 | 0.0242 | 290.0 | False |
| 18433 | 46 | RL_12 | G1 | 2 | 49 | Matt | 6.42 | 0.0 | 14.77 | 6.39 | -2.61 | 7.46 | -1.13 | 3.24 | 0.0378 | 250.0 | False |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 2 | L | G1 | 2 | 0 | Matt | -27.25 | 3.25 | 0.0124 | 190.0 | False |
| 18434 | 2 | L | G1 | 2 | 1 | Matt | -25.07 | 3.82 | 0.0193 | 140.0 | False |
| 18434 | 2 | L | G1 | 2 | 2 | Matt | -26.64 | 2.11 | 0.0155 | 180.05 | False |
| 18434 | 2 | L | G1 | 2 | 3 | Matt | -23.52 | 2.78 | 0.0063 | 230.0 | True |
| 18434 | 2 | L | G1 | 2 | 4 | Matt | -25.96 | 4.37 | 0.0099 | 220.0 | True |
| 18434 | 2 | L | G1 | 2 | 5 | Matt | -25.42 | 4.47 | 0.0099 | 290.2 | True |
| 18434 | 2 | L | G1 | 2 | 6 | Matt | -25.80 | 4.18 | 0.0193 | 210.0 | False |
| 18434 | 2 | L | G1 | 2 | 7 | Matt | -23.66 | 3.47 | 0.0051 | 410.1 | True |
| 18434 | 2 | L | G1 | 2 | 8 | Matt | -24.13 | 2.62 | 0.0124 | 230.05 | False |
| 18434 | 2 | L | G1 | 2 | 9 | Matt | -24.94 | 3.62 | 0.0155 | 130.0 | False |
| 18434 | 2 | L | G1 | 2 | 10 | Matt | -25.32 | 2.28 | 0.0124 | 180.0 | False |
| 18434 | 2 | L | G1 | 2 | 11 | Matt | -25.43 | 5.40 | 0.0155 | 180.0 | False |
| 18434 | 2 | L | G1 | 2 | 12 | Matt | -23.89 | 3.56 | 0.0124 | 270.0 | False |
| 18434 | 2 | L | G1 | 2 | 13 | Matt | -24.75 | 3.92 | 0.0193 | 200.0 | False |
| 18434 | 2 | L | G1 | 2 | 14 | Matt | -22.89 | 4.25 | 0.0193 | 150.0 | False |
| 18434 | 2 | L | G1 | 2 | 15 | Matt | -25.14 | 4.53 | 0.0079 | 370.1 | True |
| 18434 | 2 | L | G1 | 2 | 16 | Matt | -25.98 | 4.05 | 0.0155 | 140.0 | False |
| 18434 | 2 | L | G1 | 2 | 17 | Matt | -25.15 | 3.88 | 0.0155 | 230.15 | False |
| 18434 | 2 | L | G1 | 2 | 18 | Matt | -24.17 | 3.86 | 0.0099 | 210.05 | True |
| 18434 | 2 | L | G1 | 2 | 19 | Matt | -23.09 | 3.69 | 0.0124 | 290.0 | False |
| 18434 | 2 | L | G1 | 2 | 20 | Matt | -25.36 | 4.50 | 0.0155 | 230.1 | False |
| 18434 | 2 | L | G1 | 2 | 21 | Matt | -25.16 | 4.77 | 0.0193 | 140.0 | False |
| 18434 | 2 | L | G1 | 2 | 22 | Matt | -24.75 | 3.71 | 0.0124 | 230.0 | False |
| 18434 | 2 | L | G1 | 2 | 23 | Matt | -24.88 | 3.93 | 0.0193 | 180.0 | False |
| 18434 | 2 | L | G1 | 2 | 24 | Matt | -26.95 | 3.03 | 0.0124 | 230.0 | False |
| 18434 | 2 | L | G1 | 2 | 25 | Matt | -26.37 | 4.68 | 0.0124 | 190.0 | False |
| 18434 | 2 | L | G1 | 2 | 26 | Matt | -27.61 | 4.84 | 0.0155 | 130.05 | False |
| 18434 | 2 | L | G1 | 2 | 27 | Matt | -24.07 | 4.19 | 0.0124 | 170.0 | False |
| 18434 | 2 | L | G1 | 2 | 28 | Matt | -25.48 | 3.08 | 0.0155 | 170.0 | False |
| 18434 | 2 | L | G1 | 2 | 29 | Matt | -25.04 | 3.90 | 0.0155 | 180.4 | False |
| 18434 | 2 | L | G1 | 2 | 30 | Matt | -25.79 | 2.92 | 0.0063 | 220.0 | True |
| 18434 | 2 | L | G1 | 2 | 31 | Matt | -22.20 | 3.43 | 0.0079 | 210.0 | True |
| 18434 | 2 | L | G1 | 2 | 32 | Matt | -25.05 | 4.18 | 0.0099 | 150.15 | True |
| 18434 | 2 | L | G1 | 2 | 33 | Matt | -23.63 | 4.11 | 0.0079 | 160.15 | True |
| 18434 | 2 | L | G1 | 2 | 34 | Matt | -23.60 | 5.23 | 0.0124 | 200.0 | False |
| 18434 | 2 | L | G1 | 2 | 35 | Matt | -25.25 | 4.21 | 0.0155 | 180.0 | False |
| 18434 | 2 | L | G1 | 2 | 36 | Matt | -24.67 | 4.05 | 0.0155 | 140.25 | False |
| 18434 | 2 | L | G1 | 2 | 37 | Matt | -23.95 | 3.74 | 0.0155 | 320.1 | False |
| 18434 | 2 | L | G1 | 2 | 38 | Matt | -25.61 | 3.62 | 0.0242 | 210.15 | False |
| 18434 | 2 | L | G1 | 2 | 39 | Matt | -26.69 | 3.83 | 0.0124 | 210.0 | False |
| 18434 | 2 | L | G1 | 2 | 40 | Matt | -23.65 | 3.80 | 0.0124 | 220.0 | False |
| 18434 | 2 | L | G1 | 2 | 41 | Matt | -25.97 | 2.65 | 0.0124 | 260.0 | False |
| 18434 | 2 | L | G1 | 2 | 42 | Matt | -24.92 | 3.67 | 0.0124 | 220.45 | False |
| 18434 | 2 | L | G1 | 2 | 43 | Matt | -24.83 | 3.60 | 0.0124 | 170.0 | False |
| 18434 | 2 | L | G1 | 2 | 44 | Matt | -23.54 | 4.43 | 0.0242 | 170.0 | False |
| 18434 | 2 | L | G1 | 2 | 45 | Matt | -24.35 | 4.41 | 0.0302 | 160.0 | False |
| 18434 | 2 | L | G1 | 2 | 46 | Matt | -25.91 | 3.00 | 0.0099 | 170.0 | True |
| 18434 | 2 | L | G1 | 2 | 47 | Matt | -25.00 | 5.07 | 0.0193 | 190.0 | False |
| 18434 | 2 | L | G1 | 2 | 48 | Matt | -25.86 | 3.79 | 0.0124 | 170.15 | False |
| 18434 | 2 | L | G1 | 2 | 49 | Matt | -23.79 | 3.85 | 0.0242 | 160.05 | False |