| 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 | 48 | RL_12 | G3 | 1 | 0 | Tim | 6.42 | 0.0 | -42.08 | 3.52 | -20.40 | 3.52 | -8.86 | 1.53 | 0.0193 | 380.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 1 | Tim | 6.42 | 0.0 | -41.35 | 2.95 | -19.72 | 2.96 | -8.56 | 1.29 | 0.0155 | 360.1 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 2 | Tim | 6.42 | 0.0 | -40.75 | 3.26 | -19.11 | 3.27 | -8.30 | 1.42 | 0.0193 | 370.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 3 | Tim | 6.42 | 0.0 | -42.09 | 2.87 | -20.46 | 2.88 | -8.88 | 1.25 | 0.0155 | 410.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 4 | Tim | 6.42 | 0.0 | -41.05 | 3.09 | -19.25 | 3.10 | -8.36 | 1.34 | 0.0099 | 510.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 5 | Tim | 6.42 | 0.0 | -42.08 | 4.56 | -20.31 | 4.56 | -8.82 | 1.98 | 0.0242 | 160.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 6 | Tim | 6.42 | 0.0 | -41.08 | 3.37 | -19.39 | 3.38 | -8.42 | 1.47 | 0.0155 | 300.1 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 7 | Tim | 6.42 | 0.0 | -41.59 | 2.87 | -19.85 | 2.88 | -8.62 | 1.25 | 0.0155 | 440.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 8 | Tim | 6.42 | 0.0 | -41.37 | 2.72 | -19.70 | 2.73 | -8.56 | 1.18 | 0.0079 | 550.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 9 | Tim | 6.42 | 0.0 | -41.16 | 3.66 | -19.36 | 3.67 | -8.41 | 1.59 | 0.0242 | 320.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 10 | Tim | 6.42 | 0.0 | -42.64 | 2.65 | -20.94 | 2.67 | -9.09 | 1.16 | 0.0079 | 420.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 11 | Tim | 6.42 | 0.0 | -40.78 | 3.82 | -19.12 | 3.83 | -8.30 | 1.66 | 0.0193 | 250.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 12 | Tim | 6.42 | 0.0 | -41.63 | 2.45 | -19.98 | 2.46 | -8.68 | 1.07 | 0.0124 | 400.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 13 | Tim | 6.42 | 0.0 | -41.27 | 3.35 | -19.51 | 3.36 | -8.47 | 1.46 | 0.0155 | 380.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 14 | Tim | 6.42 | 0.0 | -40.03 | 5.36 | -18.24 | 5.36 | -7.92 | 2.33 | 0.0155 | 280.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 15 | Tim | 6.42 | 0.0 | -39.51 | 4.43 | -17.76 | 4.44 | -7.71 | 1.93 | 0.0193 | 340.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 16 | Tim | 6.42 | 0.0 | -42.06 | 3.06 | -20.20 | 3.07 | -8.77 | 1.33 | 0.0155 | 240.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 17 | Tim | 6.42 | 0.0 | -41.53 | 2.81 | -19.81 | 2.83 | -8.60 | 1.23 | 0.0124 | 310.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 18 | Tim | 6.42 | 0.0 | -40.75 | 3.77 | -19.00 | 3.78 | -8.25 | 1.64 | 0.0193 | 190.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 19 | Tim | 6.42 | 0.0 | -41.23 | 4.18 | -19.62 | 4.18 | -8.52 | 1.82 | 0.0124 | 330.3 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 20 | Tim | 6.42 | 0.0 | -40.75 | 3.85 | -18.90 | 3.85 | -8.21 | 1.67 | 0.0242 | 220.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 21 | Tim | 6.42 | 0.0 | -42.08 | 3.11 | -20.38 | 3.12 | -8.85 | 1.35 | 0.0155 | 320.1 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 22 | Tim | 6.42 | 0.0 | -42.43 | 2.90 | -20.63 | 2.91 | -8.96 | 1.26 | 0.0155 | 390.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 23 | Tim | 6.42 | 0.0 | -41.78 | 3.11 | -20.12 | 3.12 | -8.74 | 1.35 | 0.0099 | 550.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 24 | Tim | 6.42 | 0.0 | -42.08 | 3.36 | -20.49 | 3.37 | -8.90 | 1.46 | 0.0099 | 400.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 25 | Tim | 6.42 | 0.0 | -41.41 | 3.49 | -19.72 | 3.50 | -8.57 | 1.52 | 0.0193 | 250.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 26 | Tim | 6.42 | 0.0 | -40.76 | 3.34 | -19.09 | 3.35 | -8.29 | 1.45 | 0.0242 | 240.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 27 | Tim | 6.42 | 0.0 | -41.51 | 2.61 | -19.92 | 2.64 | -8.65 | 1.15 | 0.0124 | 350.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 28 | Tim | 6.42 | 0.0 | -41.64 | 3.50 | -19.92 | 3.51 | -8.65 | 1.53 | 0.0155 | 270.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 29 | Tim | 6.42 | 0.0 | -41.20 | 3.51 | -19.41 | 3.52 | -8.43 | 1.53 | 0.0193 | 180.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 30 | Tim | 6.42 | 0.0 | -41.91 | 3.35 | -20.11 | 3.35 | -8.74 | 1.46 | 0.0124 | 510.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 31 | Tim | 6.42 | 0.0 | -40.35 | 3.21 | -18.73 | 3.23 | -8.13 | 1.40 | 0.0155 | 310.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 32 | Tim | 6.42 | 0.0 | -41.73 | 2.64 | -19.97 | 2.65 | -8.67 | 1.15 | 0.0155 | 270.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 33 | Tim | 6.42 | 0.0 | -41.47 | 3.45 | -19.83 | 3.46 | -8.61 | 1.50 | 0.0124 | 440.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 34 | Tim | 6.42 | 0.0 | -40.55 | 3.46 | -18.86 | 3.47 | -8.19 | 1.51 | 0.0242 | 210.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 35 | Tim | 6.42 | 0.0 | -41.15 | 3.40 | -19.50 | 3.41 | -8.47 | 1.48 | 0.0193 | 240.2 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 36 | Tim | 6.42 | 0.0 | -41.03 | 2.87 | -19.40 | 2.88 | -8.42 | 1.25 | 0.0155 | 340.1 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 37 | Tim | 6.42 | 0.0 | -42.03 | 2.37 | -20.35 | 2.38 | -8.84 | 1.03 | 0.0155 | 310.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 38 | Tim | 6.42 | 0.0 | -40.90 | 3.57 | -19.07 | 3.58 | -8.28 | 1.55 | 0.0155 | 370.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 39 | Tim | 6.42 | 0.0 | -41.72 | 2.86 | -20.00 | 2.87 | -8.69 | 1.25 | 0.0124 | 390.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 40 | Tim | 6.42 | 0.0 | -41.90 | 3.42 | -20.25 | 3.43 | -8.79 | 1.49 | 0.0124 | 420.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 41 | Tim | 6.42 | 0.0 | -41.67 | 2.36 | -20.00 | 2.38 | -8.69 | 1.03 | 0.0063 | 440.05 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 42 | Tim | 6.42 | 0.0 | -40.81 | 3.86 | -19.07 | 3.87 | -8.28 | 1.68 | 0.0193 | 290.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 43 | Tim | 6.42 | 0.0 | -41.55 | 4.20 | -19.78 | 4.22 | -8.59 | 1.83 | 0.0193 | 410.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 44 | Tim | 6.42 | 0.0 | -40.84 | 4.32 | -19.21 | 4.33 | -8.34 | 1.88 | 0.0124 | 230.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 45 | Tim | 6.42 | 0.0 | -41.27 | 3.10 | -19.55 | 3.11 | -8.49 | 1.35 | 0.0124 | 300.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 46 | Tim | 6.42 | 0.0 | -41.42 | 3.11 | -19.75 | 3.12 | -8.58 | 1.35 | 0.0124 | 370.25 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 47 | Tim | 6.42 | 0.0 | -42.29 | 2.46 | -20.60 | 2.47 | -8.95 | 1.07 | 0.0124 | 420.0 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 48 | Tim | 6.42 | 0.0 | -42.09 | 3.39 | -20.49 | 3.40 | -8.90 | 1.48 | 0.0155 | 260.2 | True |
| 18433 | 48 | RL_12 | G3 | 1 | 49 | Tim | 6.42 | 0.0 | -41.64 | 2.82 | -20.01 | 2.83 | -8.69 | 1.23 | 0.0063 | 490.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 4 | L | G3 | 1 | 0 | Tim | 15.26 | 0.14 | 0.0000 | 283.95 | True |
| 18434 | 4 | L | G3 | 1 | 1 | Tim | 15.22 | 0.23 | 0.0000 | 220.0 | True |
| 18434 | 4 | L | G3 | 1 | 2 | Tim | 15.23 | 0.22 | 0.0000 | 250.0 | True |
| 18434 | 4 | L | G3 | 1 | 3 | Tim | 15.22 | 0.25 | 0.0001 | 170.0 | True |
| 18434 | 4 | L | G3 | 1 | 4 | Tim | 15.39 | 0.26 | 0.0001 | 160.0 | True |
| 18434 | 4 | L | G3 | 1 | 5 | Tim | 15.36 | 0.23 | 0.0001 | 190.05 | True |
| 18434 | 4 | L | G3 | 1 | 6 | Tim | 15.28 | 0.20 | 0.0003 | 150.0 | True |
| 18434 | 4 | L | G3 | 1 | 7 | Tim | 15.33 | 0.26 | 0.0000 | 240.0 | True |
| 18434 | 4 | L | G3 | 1 | 8 | Tim | 15.25 | 0.26 | 0.0004 | 150.0 | True |
| 18434 | 4 | L | G3 | 1 | 9 | Tim | 15.38 | 0.18 | 0.0000 | 230.0 | True |
| 18434 | 4 | L | G3 | 1 | 10 | Tim | 15.29 | 0.35 | 0.0005 | 120.0 | True |
| 18434 | 4 | L | G3 | 1 | 11 | Tim | 15.24 | 0.27 | 0.0002 | 170.0 | True |
| 18434 | 4 | L | G3 | 1 | 12 | Tim | 15.24 | 0.24 | 0.0001 | 190.1 | True |
| 18434 | 4 | L | G3 | 1 | 13 | Tim | 15.34 | 0.28 | 0.0000 | 220.1 | True |
| 18434 | 4 | L | G3 | 1 | 14 | Tim | 15.37 | 0.24 | 0.0001 | 190.0 | True |
| 18434 | 4 | L | G3 | 1 | 15 | Tim | 15.34 | 0.34 | 0.0001 | 170.0 | True |
| 18434 | 4 | L | G3 | 1 | 16 | Tim | 15.45 | 0.24 | 0.0007 | 140.0 | True |
| 18434 | 4 | L | G3 | 1 | 17 | Tim | 15.30 | 0.34 | 0.0001 | 160.0 | True |
| 18434 | 4 | L | G3 | 1 | 18 | Tim | 15.33 | 0.25 | 0.0000 | 240.0 | True |
| 18434 | 4 | L | G3 | 1 | 19 | Tim | 15.20 | 0.21 | 0.0000 | 240.0 | True |
| 18434 | 4 | L | G3 | 1 | 20 | Tim | 15.43 | 0.20 | 0.0000 | 224.1 | True |
| 18434 | 4 | L | G3 | 1 | 21 | Tim | 15.28 | 0.20 | 0.0000 | 232.4 | True |
| 18434 | 4 | L | G3 | 1 | 22 | Tim | 15.38 | 0.28 | 0.0001 | 200.0 | True |
| 18434 | 4 | L | G3 | 1 | 23 | Tim | 15.24 | 0.26 | 0.0000 | 264.4 | True |
| 18434 | 4 | L | G3 | 1 | 24 | Tim | 15.17 | 0.26 | 0.0000 | 220.0 | True |
| 18434 | 4 | L | G3 | 1 | 25 | Tim | 15.27 | 0.30 | 0.0002 | 140.8 | True |
| 18434 | 4 | L | G3 | 1 | 26 | Tim | 15.26 | 0.21 | 0.0001 | 210.8 | True |
| 18434 | 4 | L | G3 | 1 | 27 | Tim | 15.18 | 0.39 | 0.0009 | 140.0 | True |
| 18434 | 4 | L | G3 | 1 | 28 | Tim | 15.31 | 0.23 | 0.0000 | 260.0 | True |
| 18434 | 4 | L | G3 | 1 | 29 | Tim | 15.37 | 0.21 | 0.0001 | 210.05 | True |
| 18434 | 4 | L | G3 | 1 | 30 | Tim | 15.38 | 0.22 | 0.0000 | 220.1 | True |
| 18434 | 4 | L | G3 | 1 | 31 | Tim | 15.21 | 0.30 | 0.0004 | 140.05 | True |
| 18434 | 4 | L | G3 | 1 | 32 | Tim | 15.34 | 0.18 | 0.0000 | 270.0 | True |
| 18434 | 4 | L | G3 | 1 | 33 | Tim | 15.22 | 0.26 | 0.0000 | 240.0 | True |
| 18434 | 4 | L | G3 | 1 | 34 | Tim | 15.28 | 0.23 | 0.0000 | 293.45 | True |
| 18434 | 4 | L | G3 | 1 | 35 | Tim | 15.24 | 0.18 | 0.0000 | 210.15 | True |
| 18434 | 4 | L | G3 | 1 | 36 | Tim | 15.22 | 0.30 | 0.0002 | 160.1 | True |
| 18434 | 4 | L | G3 | 1 | 37 | Tim | 15.27 | 0.21 | 0.0000 | 230.0 | True |
| 18434 | 4 | L | G3 | 1 | 38 | Tim | 15.42 | 0.20 | 0.0000 | 250.0 | True |
| 18434 | 4 | L | G3 | 1 | 39 | Tim | 15.30 | 0.25 | 0.0000 | 210.05 | True |
| 18434 | 4 | L | G3 | 1 | 40 | Tim | 15.24 | 0.26 | 0.0002 | 180.4 | True |
| 18434 | 4 | L | G3 | 1 | 41 | Tim | 15.25 | 0.29 | 0.0001 | 210.1 | True |
| 18434 | 4 | L | G3 | 1 | 42 | Tim | 15.33 | 0.23 | 0.0001 | 200.0 | True |
| 18434 | 4 | L | G3 | 1 | 43 | Tim | 15.35 | 0.33 | 0.0003 | 150.0 | True |
| 18434 | 4 | L | G3 | 1 | 44 | Tim | 15.22 | 0.27 | 0.0001 | 190.1 | True |
| 18434 | 4 | L | G3 | 1 | 45 | Tim | 15.30 | 0.27 | 0.0003 | 140.0 | True |
| 18434 | 4 | L | G3 | 1 | 46 | Tim | 15.25 | 0.25 | 0.0001 | 200.05 | True |
| 18434 | 4 | L | G3 | 1 | 47 | Tim | 15.28 | 0.16 | 0.0000 | 297.75 | True |
| 18434 | 4 | L | G3 | 1 | 48 | Tim | 15.19 | 0.22 | 0.0000 | 200.0 | True |
| 18434 | 4 | L | G3 | 1 | 49 | Tim | 15.21 | 0.21 | 0.0003 | 160.0 | True |