| 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 | 50 | RL_12 | G3 | 3 | 0 | Tim | 6.42 | 0.0 | -40.99 | 4.25 | -19.43 | 4.26 | -8.44 | 1.85 | 0.0155 | 340.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 1 | Tim | 6.42 | 0.0 | -42.43 | 3.34 | -20.89 | 3.34 | -9.07 | 1.45 | 0.0155 | 240.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 2 | Tim | 6.42 | 0.0 | -42.34 | 3.66 | -20.65 | 3.67 | -8.97 | 1.59 | 0.0193 | 270.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 3 | Tim | 6.42 | 0.0 | -41.27 | 3.76 | -19.62 | 3.77 | -8.52 | 1.64 | 0.0193 | 290.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 4 | Tim | 6.42 | 0.0 | -40.44 | 3.51 | -18.77 | 3.52 | -8.15 | 1.53 | 0.0193 | 280.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 5 | Tim | 6.42 | 0.0 | -40.62 | 3.82 | -18.90 | 3.83 | -8.21 | 1.66 | 0.0124 | 410.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 6 | Tim | 6.42 | 0.0 | -41.07 | 2.77 | -19.55 | 2.78 | -8.49 | 1.21 | 0.0124 | 420.4 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 7 | Tim | 6.42 | 0.0 | -42.50 | 3.09 | -20.79 | 3.13 | -9.03 | 1.36 | 0.0155 | 380.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 8 | Tim | 6.42 | 0.0 | -41.04 | 3.58 | -19.34 | 3.60 | -8.40 | 1.56 | 0.0124 | 390.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 9 | Tim | 6.42 | 0.0 | -42.12 | 2.79 | -20.45 | 2.80 | -8.88 | 1.22 | 0.0079 | 360.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 10 | Tim | 6.42 | 0.0 | -41.86 | 3.57 | -20.24 | 3.59 | -8.79 | 1.56 | 0.0242 | 270.0 | False |
| 18433 | 50 | RL_12 | G3 | 3 | 11 | Tim | 6.42 | 0.0 | -42.17 | 2.67 | -20.48 | 2.68 | -8.89 | 1.16 | 0.0155 | 300.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 12 | Tim | 6.42 | 0.0 | -41.96 | 3.07 | -20.28 | 3.08 | -8.81 | 1.34 | 0.0155 | 440.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 13 | Tim | 6.42 | 0.0 | -41.18 | 2.98 | -19.48 | 2.99 | -8.46 | 1.30 | 0.0099 | 380.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 14 | Tim | 6.42 | 0.0 | -41.58 | 3.13 | -19.93 | 3.14 | -8.66 | 1.36 | 0.0124 | 420.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 15 | Tim | 6.42 | 0.0 | -41.08 | 4.52 | -19.44 | 4.52 | -8.44 | 1.96 | 0.0099 | 450.3 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 16 | Tim | 6.42 | 0.0 | -41.68 | 4.02 | -20.01 | 4.02 | -8.69 | 1.75 | 0.0155 | 410.2 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 17 | Tim | 6.42 | 0.0 | -40.57 | 4.37 | -18.99 | 4.37 | -8.25 | 1.90 | 0.0302 | 260.1 | False |
| 18433 | 50 | RL_12 | G3 | 3 | 18 | Tim | 6.42 | 0.0 | -41.69 | 2.97 | -20.10 | 2.98 | -8.73 | 1.29 | 0.0124 | 420.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 19 | Tim | 6.42 | 0.0 | -40.70 | 3.56 | -18.95 | 3.57 | -8.23 | 1.55 | 0.0155 | 320.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 20 | Tim | 6.42 | 0.0 | -41.28 | 3.58 | -19.64 | 3.59 | -8.53 | 1.56 | 0.0193 | 360.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 21 | Tim | 6.42 | 0.0 | -41.83 | 3.38 | -20.22 | 3.39 | -8.78 | 1.47 | 0.0155 | 350.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 22 | Tim | 6.42 | 0.0 | -40.37 | 3.34 | -18.68 | 3.34 | -8.11 | 1.45 | 0.0193 | 320.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 23 | Tim | 6.42 | 0.0 | -41.68 | 3.60 | -20.02 | 3.61 | -8.70 | 1.57 | 0.0099 | 440.05 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 24 | Tim | 6.42 | 0.0 | -40.65 | 4.27 | -19.02 | 4.28 | -8.26 | 1.86 | 0.0124 | 260.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 25 | Tim | 6.42 | 0.0 | -41.00 | 3.01 | -19.28 | 3.02 | -8.37 | 1.31 | 0.0155 | 400.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 26 | Tim | 6.42 | 0.0 | -40.46 | 4.09 | -18.89 | 4.09 | -8.20 | 1.78 | 0.0155 | 420.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 27 | Tim | 6.42 | 0.0 | -41.72 | 3.38 | -19.94 | 3.39 | -8.66 | 1.47 | 0.0155 | 490.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 28 | Tim | 6.42 | 0.0 | -40.85 | 3.20 | -19.13 | 3.20 | -8.31 | 1.39 | 0.0193 | 260.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 29 | Tim | 6.42 | 0.0 | -42.07 | 2.80 | -20.44 | 2.80 | -8.87 | 1.22 | 0.0124 | 250.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 30 | Tim | 6.42 | 0.0 | -41.59 | 3.43 | -20.01 | 3.44 | -8.69 | 1.49 | 0.0193 | 300.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 31 | Tim | 6.42 | 0.0 | -41.67 | 3.48 | -19.96 | 3.50 | -8.67 | 1.52 | 0.0124 | 380.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 32 | Tim | 6.42 | 0.0 | -41.46 | 2.98 | -19.94 | 2.99 | -8.66 | 1.30 | 0.0193 | 420.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 33 | Tim | 6.42 | 0.0 | -41.42 | 3.89 | -19.75 | 3.89 | -8.58 | 1.69 | 0.0193 | 250.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 34 | Tim | 6.42 | 0.0 | -41.07 | 3.66 | -19.49 | 3.67 | -8.46 | 1.59 | 0.0079 | 460.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 35 | Tim | 6.42 | 0.0 | -41.20 | 3.78 | -19.55 | 3.79 | -8.49 | 1.64 | 0.0155 | 360.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 36 | Tim | 6.42 | 0.0 | -40.47 | 5.03 | -18.76 | 5.03 | -8.15 | 2.19 | 0.0302 | 230.0 | False |
| 18433 | 50 | RL_12 | G3 | 3 | 37 | Tim | 6.42 | 0.0 | -40.25 | 3.11 | -18.65 | 3.12 | -8.10 | 1.35 | 0.0193 | 240.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 38 | Tim | 6.42 | 0.0 | -41.61 | 3.01 | -19.91 | 3.02 | -8.65 | 1.31 | 0.0124 | 440.15 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 39 | Tim | 6.42 | 0.0 | -41.49 | 3.69 | -19.66 | 3.69 | -8.54 | 1.60 | 0.0155 | 290.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 40 | Tim | 6.42 | 0.0 | -41.14 | 3.81 | -19.56 | 3.81 | -8.49 | 1.66 | 0.0242 | 190.0 | False |
| 18433 | 50 | RL_12 | G3 | 3 | 41 | Tim | 6.42 | 0.0 | -41.51 | 2.75 | -20.00 | 2.76 | -8.69 | 1.20 | 0.0155 | 310.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 42 | Tim | 6.42 | 0.0 | -41.82 | 3.21 | -20.18 | 3.22 | -8.76 | 1.40 | 0.0155 | 260.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 43 | Tim | 6.42 | 0.0 | -40.89 | 3.39 | -19.24 | 3.40 | -8.36 | 1.48 | 0.0124 | 400.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 44 | Tim | 6.42 | 0.0 | -41.09 | 3.35 | -19.54 | 3.37 | -8.49 | 1.46 | 0.0155 | 320.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 45 | Tim | 6.42 | 0.0 | -41.76 | 3.26 | -20.17 | 3.28 | -8.76 | 1.42 | 0.0193 | 390.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 46 | Tim | 6.42 | 0.0 | -41.68 | 2.66 | -20.01 | 2.67 | -8.69 | 1.16 | 0.0124 | 280.1 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 47 | Tim | 6.42 | 0.0 | -41.81 | 3.25 | -20.17 | 3.26 | -8.76 | 1.41 | 0.0193 | 300.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 48 | Tim | 6.42 | 0.0 | -40.09 | 3.02 | -18.38 | 3.03 | -7.98 | 1.31 | 0.0124 | 310.0 | True |
| 18433 | 50 | RL_12 | G3 | 3 | 49 | Tim | 6.42 | 0.0 | -40.09 | 4.44 | -18.54 | 4.45 | -8.05 | 1.93 | 0.0242 | 190.0 | False |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 6 | L | G3 | 3 | 0 | Tim | 15.14 | 0.31 | 0.0004 | 150.0 | True |
| 18434 | 6 | L | G3 | 3 | 1 | Tim | 15.13 | 0.18 | 0.0000 | 240.15 | True |
| 18434 | 6 | L | G3 | 3 | 2 | Tim | 15.28 | 0.27 | 0.0000 | 200.2 | True |
| 18434 | 6 | L | G3 | 3 | 3 | Tim | 15.23 | 0.24 | 0.0001 | 180.0 | True |
| 18434 | 6 | L | G3 | 3 | 4 | Tim | 15.26 | 0.30 | 0.0001 | 210.0 | True |
| 18434 | 6 | L | G3 | 3 | 5 | Tim | 15.30 | 0.26 | 0.0001 | 200.1 | True |
| 18434 | 6 | L | G3 | 3 | 6 | Tim | 15.10 | 0.26 | 0.0000 | 307.65 | True |
| 18434 | 6 | L | G3 | 3 | 7 | Tim | 15.29 | 0.45 | 0.0079 | 60.2 | True |
| 18434 | 6 | L | G3 | 3 | 8 | Tim | 15.28 | 0.31 | 0.0001 | 240.05 | True |
| 18434 | 6 | L | G3 | 3 | 9 | Tim | 15.25 | 0.21 | 0.0002 | 230.25 | True |
| 18434 | 6 | L | G3 | 3 | 10 | Tim | 15.21 | 0.34 | 0.0003 | 160.25 | True |
| 18434 | 6 | L | G3 | 3 | 11 | Tim | 15.28 | 0.24 | 0.0001 | 180.0 | True |
| 18434 | 6 | L | G3 | 3 | 12 | Tim | 15.26 | 0.23 | 0.0000 | 210.0 | True |
| 18434 | 6 | L | G3 | 3 | 13 | Tim | 15.28 | 0.22 | 0.0000 | 250.05 | True |
| 18434 | 6 | L | G3 | 3 | 14 | Tim | 15.23 | 0.20 | 0.0000 | 270.0 | True |
| 18434 | 6 | L | G3 | 3 | 15 | Tim | 15.22 | 0.19 | 0.0000 | 285.15 | True |
| 18434 | 6 | L | G3 | 3 | 16 | Tim | 15.26 | 0.18 | 0.0000 | 290.0 | True |
| 18434 | 6 | L | G3 | 3 | 17 | Tim | 15.16 | 0.20 | 0.0000 | 210.1 | True |
| 18434 | 6 | L | G3 | 3 | 18 | Tim | 15.17 | 0.23 | 0.0000 | 240.0 | True |
| 18434 | 6 | L | G3 | 3 | 19 | Tim | 15.34 | 0.26 | 0.0001 | 180.0 | True |
| 18434 | 6 | L | G3 | 3 | 20 | Tim | 15.23 | 0.26 | 0.0001 | 180.0 | True |
| 18434 | 6 | L | G3 | 3 | 21 | Tim | 15.20 | 0.23 | 0.0001 | 220.35 | True |
| 18434 | 6 | L | G3 | 3 | 22 | Tim | 15.28 | 0.16 | 0.0000 | 291.95 | True |
| 18434 | 6 | L | G3 | 3 | 23 | Tim | 15.24 | 0.30 | 0.0005 | 130.0 | True |
| 18434 | 6 | L | G3 | 3 | 24 | Tim | 15.22 | 0.24 | 0.0000 | 250.35 | True |
| 18434 | 6 | L | G3 | 3 | 25 | Tim | 15.30 | 0.17 | 0.0000 | 303.0 | True |
| 18434 | 6 | L | G3 | 3 | 26 | Tim | 15.16 | 0.23 | 0.0000 | 220.0 | True |
| 18434 | 6 | L | G3 | 3 | 27 | Tim | 15.37 | 0.27 | 0.0002 | 180.45 | True |
| 18434 | 6 | L | G3 | 3 | 28 | Tim | 15.31 | 0.21 | 0.0000 | 256.8 | True |
| 18434 | 6 | L | G3 | 3 | 29 | Tim | 15.22 | 0.20 | 0.0000 | 284.1 | True |
| 18434 | 6 | L | G3 | 3 | 30 | Tim | 15.16 | 0.21 | 0.0003 | 160.0 | True |
| 18434 | 6 | L | G3 | 3 | 31 | Tim | 15.29 | 0.29 | 0.0001 | 210.05 | True |
| 18434 | 6 | L | G3 | 3 | 32 | Tim | 15.11 | 0.20 | 0.0000 | 303.45 | True |
| 18434 | 6 | L | G3 | 3 | 33 | Tim | 15.26 | 0.22 | 0.0001 | 220.0 | True |
| 18434 | 6 | L | G3 | 3 | 34 | Tim | 15.17 | 0.35 | 0.0004 | 150.3 | True |
| 18434 | 6 | L | G3 | 3 | 35 | Tim | 15.24 | 0.21 | 0.0000 | 210.0 | True |
| 18434 | 6 | L | G3 | 3 | 36 | Tim | 15.30 | 0.22 | 0.0000 | 290.9 | True |
| 18434 | 6 | L | G3 | 3 | 37 | Tim | 15.19 | 0.25 | 0.0001 | 200.1 | True |
| 18434 | 6 | L | G3 | 3 | 38 | Tim | 15.28 | 0.23 | 0.0000 | 230.0 | True |
| 18434 | 6 | L | G3 | 3 | 39 | Tim | 15.41 | 0.23 | 0.0001 | 180.0 | True |
| 18434 | 6 | L | G3 | 3 | 40 | Tim | 15.17 | 0.19 | 0.0001 | 220.0 | True |
| 18434 | 6 | L | G3 | 3 | 41 | Tim | 15.09 | 0.22 | 0.0001 | 230.05 | True |
| 18434 | 6 | L | G3 | 3 | 42 | Tim | 15.23 | 0.30 | 0.0001 | 210.05 | True |
| 18434 | 6 | L | G3 | 3 | 43 | Tim | 15.23 | 0.26 | 0.0002 | 160.0 | True |
| 18434 | 6 | L | G3 | 3 | 44 | Tim | 15.14 | 0.32 | 0.0009 | 120.05 | True |
| 18434 | 6 | L | G3 | 3 | 45 | Tim | 15.18 | 0.29 | 0.0001 | 200.0 | True |
| 18434 | 6 | L | G3 | 3 | 46 | Tim | 15.25 | 0.19 | 0.0000 | 295.7 | True |
| 18434 | 6 | L | G3 | 3 | 47 | Tim | 15.22 | 0.22 | 0.0000 | 270.0 | True |
| 18434 | 6 | L | G3 | 3 | 48 | Tim | 15.29 | 0.23 | 0.0003 | 200.05 | True |
| 18434 | 6 | L | G3 | 3 | 49 | Tim | 15.13 | 0.30 | 0.0011 | 110.15 | True |