| 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 | 45 | RL_12 | G1 | 1 | 0 | Matt | 6.42 | 0.0 | 24.98 | 5.37 | 6.88 | 5.37 | 2.99 | 2.33 | 0.0242 | 250.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 1 | Matt | 6.42 | 0.0 | 26.26 | 5.34 | 7.24 | 7.14 | 3.15 | 3.10 | 0.0242 | 280.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 2 | Matt | 6.42 | 0.0 | 23.71 | 4.51 | 1.89 | 4.86 | 0.82 | 2.11 | 0.0124 | 310.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 3 | Matt | 6.42 | 0.0 | 24.39 | 6.70 | 2.90 | 7.65 | 1.26 | 3.32 | 0.0378 | 220.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 4 | Matt | 6.42 | 0.0 | 24.80 | 5.40 | 3.34 | 6.37 | 1.45 | 2.77 | 0.0124 | 470.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 5 | Matt | 6.42 | 0.0 | 25.88 | 5.53 | 4.83 | 6.58 | 2.10 | 2.86 | 0.0193 | 300.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 6 | Matt | 6.42 | 0.0 | 25.20 | 4.86 | 4.75 | 6.37 | 2.06 | 2.77 | 0.0124 | 510.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 7 | Matt | 6.42 | 0.0 | 26.14 | 4.29 | 5.71 | 5.60 | 2.48 | 2.43 | 0.0193 | 260.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 8 | Matt | 6.42 | 0.0 | 26.27 | 5.84 | 4.89 | 6.67 | 2.12 | 2.90 | 0.0155 | 290.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 9 | Matt | 6.42 | 0.0 | 24.87 | 6.20 | 3.45 | 7.02 | 1.50 | 3.05 | 0.0378 | 190.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 10 | Matt | 6.42 | 0.0 | 25.85 | 5.35 | 3.54 | 7.53 | 1.54 | 3.27 | 0.0193 | 300.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 11 | Matt | 6.42 | 0.0 | 26.11 | 5.08 | 6.78 | 6.42 | 2.94 | 2.79 | 0.0242 | 340.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 12 | Matt | 6.42 | 0.0 | 27.57 | 4.44 | 7.78 | 6.32 | 3.38 | 2.75 | 0.0242 | 220.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 13 | Matt | 6.42 | 0.0 | 25.76 | 5.48 | 4.51 | 6.57 | 1.96 | 2.85 | 0.0124 | 370.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 14 | Matt | 6.42 | 0.0 | 26.16 | 6.23 | 3.56 | 7.89 | 1.55 | 3.43 | 0.0302 | 230.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 15 | Matt | 6.42 | 0.0 | 24.23 | 5.30 | 1.81 | 6.50 | 0.78 | 2.82 | 0.0155 | 430.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 16 | Matt | 6.42 | 0.0 | 25.50 | 4.97 | 5.32 | 7.23 | 2.31 | 3.14 | 0.0378 | 250.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 17 | Matt | 6.42 | 0.0 | 25.61 | 5.06 | 4.59 | 5.87 | 1.99 | 2.55 | 0.0193 | 380.2 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 18 | Matt | 6.42 | 0.0 | 25.17 | 4.96 | 2.57 | 6.40 | 1.11 | 2.78 | 0.0193 | 330.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 19 | Matt | 6.42 | 0.0 | 26.21 | 5.15 | 4.81 | 5.82 | 2.09 | 2.53 | 0.0155 | 440.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 20 | Matt | 6.42 | 0.0 | 24.11 | 3.79 | 0.14 | 6.20 | 0.06 | 2.69 | 0.0155 | 460.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 21 | Matt | 6.42 | 0.0 | 25.19 | 5.48 | 2.20 | 6.63 | 0.96 | 2.88 | 0.0193 | 340.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 22 | Matt | 6.42 | 0.0 | 26.79 | 6.04 | 6.97 | 7.57 | 3.03 | 3.29 | 0.0378 | 370.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 23 | Matt | 6.42 | 0.0 | 24.04 | 4.78 | 1.66 | 5.55 | 0.72 | 2.41 | 0.0242 | 350.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 24 | Matt | 6.42 | 0.0 | 22.89 | 4.77 | 0.74 | 6.27 | 0.32 | 2.72 | 0.0155 | 260.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 25 | Matt | 6.42 | 0.0 | 27.71 | 6.02 | 7.83 | 6.94 | 3.40 | 3.01 | 0.0193 | 410.15 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 26 | Matt | 6.42 | 0.0 | 27.18 | 5.34 | 4.62 | 5.85 | 2.01 | 2.54 | 0.0124 | 320.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 27 | Matt | 6.42 | 0.0 | 26.12 | 4.72 | 5.04 | 6.66 | 2.19 | 2.89 | 0.0242 | 240.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 28 | Matt | 6.42 | 0.0 | 25.16 | 4.89 | 5.55 | 5.74 | 2.41 | 2.49 | 0.0242 | 280.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 29 | Matt | 6.42 | 0.0 | 26.71 | 6.79 | 5.90 | 9.28 | 2.56 | 4.03 | 0.0378 | 410.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 30 | Matt | 6.42 | 0.0 | 25.49 | 5.62 | 4.59 | 6.87 | 1.99 | 2.98 | 0.0242 | 350.2 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 31 | Matt | 6.42 | 0.0 | 23.95 | 5.37 | 2.75 | 6.46 | 1.19 | 2.81 | 0.0193 | 530.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 32 | Matt | 6.42 | 0.0 | 25.47 | 4.41 | 3.96 | 5.29 | 1.72 | 2.30 | 0.0193 | 400.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 33 | Matt | 6.42 | 0.0 | 25.25 | 4.41 | 3.99 | 5.07 | 1.73 | 2.20 | 0.0193 | 310.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 34 | Matt | 6.42 | 0.0 | 25.19 | 5.08 | 1.13 | 6.61 | 0.49 | 2.87 | 0.0193 | 340.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 35 | Matt | 6.42 | 0.0 | 25.02 | 5.19 | 4.26 | 7.02 | 1.85 | 3.05 | 0.0193 | 280.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 36 | Matt | 6.42 | 0.0 | 26.61 | 5.55 | 3.19 | 6.56 | 1.39 | 2.85 | 0.0155 | 420.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 37 | Matt | 6.42 | 0.0 | 25.33 | 4.87 | 3.05 | 7.13 | 1.33 | 3.10 | 0.0242 | 360.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 38 | Matt | 6.42 | 0.0 | 26.67 | 5.09 | 1.90 | 6.47 | 0.82 | 2.81 | 0.0242 | 240.05 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 39 | Matt | 6.42 | 0.0 | 25.56 | 5.82 | 3.02 | 6.40 | 1.31 | 2.78 | 0.0155 | 320.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 40 | Matt | 6.42 | 0.0 | 24.24 | 3.83 | 3.53 | 5.44 | 1.53 | 2.36 | 0.0155 | 270.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 41 | Matt | 6.42 | 0.0 | 26.39 | 5.20 | 4.65 | 7.99 | 2.02 | 3.47 | 0.0302 | 230.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 42 | Matt | 6.42 | 0.0 | 25.80 | 4.93 | 4.20 | 6.01 | 1.83 | 2.61 | 0.0079 | 530.2 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 43 | Matt | 6.42 | 0.0 | 25.55 | 5.86 | 1.60 | 7.33 | 0.69 | 3.18 | 0.0302 | 370.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 44 | Matt | 6.42 | 0.0 | 24.76 | 4.99 | 4.12 | 7.22 | 1.79 | 3.14 | 0.0193 | 370.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 45 | Matt | 6.42 | 0.0 | 24.14 | 4.88 | 2.44 | 7.09 | 1.06 | 3.08 | 0.0155 | 370.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 46 | Matt | 6.42 | 0.0 | 24.26 | 5.23 | 3.14 | 6.12 | 1.37 | 2.66 | 0.0378 | 180.0 | False |
| 18433 | 45 | RL_12 | G1 | 1 | 47 | Matt | 6.42 | 0.0 | 27.39 | 4.29 | 4.15 | 4.76 | 1.80 | 2.07 | 0.0155 | 250.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 48 | Matt | 6.42 | 0.0 | 25.48 | 5.16 | 5.20 | 7.28 | 2.26 | 3.16 | 0.0155 | 430.0 | True |
| 18433 | 45 | RL_12 | G1 | 1 | 49 | Matt | 6.42 | 0.0 | 27.18 | 6.18 | 7.51 | 7.57 | 3.26 | 3.29 | 0.0193 | 390.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 1 | L | G1 | 1 | 0 | Matt | -24.51 | 0.00 | 0.2815 | 10.0 | False |
| 18434 | 1 | L | G1 | 1 | 1 | Matt | -25.43 | 4.74 | 0.0124 | 160.0 | False |
| 18434 | 1 | L | G1 | 1 | 2 | Matt | -28.23 | 1.82 | 0.0099 | 120.1 | True |
| 18434 | 1 | L | G1 | 1 | 3 | Matt | -27.91 | 3.70 | 0.0155 | 160.0 | False |
| 18434 | 1 | L | G1 | 1 | 4 | Matt | -27.88 | 3.39 | 0.0079 | 210.0 | True |
| 18434 | 1 | L | G1 | 1 | 5 | Matt | -27.46 | 3.57 | 0.0378 | 70.15 | False |
| 18434 | 1 | L | G1 | 1 | 6 | Matt | -26.86 | 4.11 | 0.0242 | 120.0 | False |
| 18434 | 1 | L | G1 | 1 | 7 | Matt | -26.85 | 3.59 | 0.0155 | 190.15 | False |
| 18434 | 1 | L | G1 | 1 | 8 | Matt | -27.79 | 3.24 | 0.0079 | 190.0 | True |
| 18434 | 1 | L | G1 | 1 | 9 | Matt | -27.84 | 3.29 | 0.0051 | 320.0 | True |
| 18434 | 1 | L | G1 | 1 | 10 | Matt | -28.73 | 5.31 | 0.0124 | 210.15 | False |
| 18434 | 1 | L | G1 | 1 | 11 | Matt | -25.74 | 3.93 | 0.0155 | 160.0 | False |
| 18434 | 1 | L | G1 | 1 | 12 | Matt | -26.20 | 4.50 | 0.0193 | 150.4 | False |
| 18434 | 1 | L | G1 | 1 | 13 | Matt | -27.66 | 3.64 | 0.0124 | 210.0 | False |
| 18434 | 1 | L | G1 | 1 | 14 | Matt | -29.02 | 4.84 | 0.0063 | 250.1 | True |
| 18434 | 1 | L | G1 | 1 | 15 | Matt | -28.84 | 3.76 | 0.0099 | 260.35 | True |
| 18434 | 1 | L | G1 | 1 | 16 | Matt | -26.60 | 5.25 | 0.0155 | 180.0 | False |
| 18434 | 1 | L | G1 | 1 | 17 | Matt | -27.44 | 2.98 | 0.0099 | 230.0 | True |
| 18434 | 1 | L | G1 | 1 | 18 | Matt | -29.01 | 4.04 | 0.0124 | 230.25 | False |
| 18434 | 1 | L | G1 | 1 | 19 | Matt | -27.82 | 2.69 | 0.0124 | 260.0 | False |
| 18434 | 1 | L | G1 | 1 | 20 | Matt | -30.38 | 4.90 | 0.0063 | 210.0 | True |
| 18434 | 1 | L | G1 | 1 | 21 | Matt | -29.40 | 3.73 | 0.0063 | 260.0 | True |
| 18434 | 1 | L | G1 | 1 | 22 | Matt | -26.23 | 4.56 | 0.0063 | 260.2 | True |
| 18434 | 1 | L | G1 | 1 | 23 | Matt | -28.79 | 2.83 | 0.0079 | 190.0 | True |
| 18434 | 1 | L | G1 | 1 | 24 | Matt | -28.56 | 4.06 | 0.0099 | 210.0 | True |
| 18434 | 1 | L | G1 | 1 | 25 | Matt | -26.30 | 3.45 | 0.0079 | 260.1 | True |
| 18434 | 1 | L | G1 | 1 | 26 | Matt | -28.97 | 2.40 | 0.0124 | 160.0 | False |
| 18434 | 1 | L | G1 | 1 | 27 | Matt | -27.50 | 4.70 | 0.0124 | 220.05 | False |
| 18434 | 1 | L | G1 | 1 | 28 | Matt | -26.03 | 3.00 | 0.0051 | 150.0 | True |
| 18434 | 1 | L | G1 | 1 | 29 | Matt | -27.22 | 6.32 | 0.0063 | 240.0 | True |
| 18434 | 1 | L | G1 | 1 | 30 | Matt | -27.32 | 3.95 | 0.0124 | 200.25 | False |
| 18434 | 1 | L | G1 | 1 | 31 | Matt | -27.61 | 3.60 | 0.0079 | 230.0 | True |
| 18434 | 1 | L | G1 | 1 | 32 | Matt | -27.92 | 2.92 | 0.0099 | 150.15 | True |
| 18434 | 1 | L | G1 | 1 | 33 | Matt | -27.67 | 2.51 | 0.0063 | 170.1 | True |
| 18434 | 1 | L | G1 | 1 | 34 | Matt | -30.47 | 4.23 | 0.0041 | 210.3 | True |
| 18434 | 1 | L | G1 | 1 | 35 | Matt | -27.18 | 4.72 | 0.0099 | 310.0 | True |
| 18434 | 1 | L | G1 | 1 | 36 | Matt | -29.84 | 3.49 | 0.0079 | 230.0 | True |
| 18434 | 1 | L | G1 | 1 | 37 | Matt | -28.70 | 5.20 | 0.0099 | 220.0 | True |
| 18434 | 1 | L | G1 | 1 | 38 | Matt | -31.19 | 4.00 | 0.0079 | 180.05 | True |
| 18434 | 1 | L | G1 | 1 | 39 | Matt | -28.96 | 2.66 | 0.0063 | 120.0 | True |
| 18434 | 1 | L | G1 | 1 | 40 | Matt | -27.13 | 3.86 | 0.0063 | 270.65 | True |
| 18434 | 1 | L | G1 | 1 | 41 | Matt | -28.15 | 6.06 | 0.0063 | 220.0 | True |
| 18434 | 1 | L | G1 | 1 | 42 | Matt | -28.01 | 3.43 | 0.0155 | 190.0 | False |
| 18434 | 1 | L | G1 | 1 | 43 | Matt | -30.37 | 4.41 | 0.0063 | 210.0 | True |
| 18434 | 1 | L | G1 | 1 | 44 | Matt | -27.06 | 5.23 | 0.0124 | 190.0 | False |
| 18434 | 1 | L | G1 | 1 | 45 | Matt | -28.12 | 5.14 | 0.0079 | 270.1 | True |
| 18434 | 1 | L | G1 | 1 | 46 | Matt | -27.53 | 3.17 | 0.0051 | 260.0 | True |
| 18434 | 1 | L | G1 | 1 | 47 | Matt | -29.66 | 2.06 | 0.0079 | 130.05 | True |
| 18434 | 1 | L | G1 | 1 | 48 | Matt | -26.70 | 5.12 | 0.0099 | 210.0 | True |
| 18434 | 1 | L | G1 | 1 | 49 | Matt | -26.09 | 4.38 | 0.0124 | 150.0 | False |