| 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 | 62 | RL_12 | G10 | 1 | 0 | Tim | 6.42 | 0.0 | 1.11 | 3.94 | -16.75 | 3.96 | -7.27 | 1.72 | 0.0124 | 300.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 1 | Tim | 6.42 | 0.0 | 0.12 | 3.28 | -17.74 | 3.30 | -7.70 | 1.43 | 0.0099 | 360.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 2 | Tim | 6.42 | 0.0 | 0.91 | 4.66 | -16.87 | 4.67 | -7.33 | 2.03 | 0.0193 | 230.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 3 | Tim | 6.42 | 0.0 | 1.86 | 4.24 | -15.81 | 4.28 | -6.87 | 1.86 | 0.0193 | 350.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 4 | Tim | 6.42 | 0.0 | 1.00 | 3.68 | -16.87 | 3.70 | -7.33 | 1.61 | 0.0155 | 370.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 5 | Tim | 6.42 | 0.0 | -0.56 | 3.55 | -18.40 | 3.57 | -7.99 | 1.55 | 0.0155 | 260.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 6 | Tim | 6.42 | 0.0 | 1.64 | 4.57 | -16.17 | 4.59 | -7.02 | 1.99 | 0.0124 | 440.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 7 | Tim | 6.42 | 0.0 | 0.55 | 3.90 | -17.15 | 3.91 | -7.45 | 1.70 | 0.0193 | 280.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 8 | Tim | 6.42 | 0.0 | 1.70 | 4.20 | -16.12 | 4.21 | -7.00 | 1.83 | 0.0155 | 280.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 9 | Tim | 6.42 | 0.0 | 0.87 | 3.97 | -16.96 | 3.99 | -7.37 | 1.73 | 0.0242 | 190.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 10 | Tim | 6.42 | 0.0 | 2.51 | 5.64 | -15.35 | 5.65 | -6.67 | 2.46 | 0.0242 | 230.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 11 | Tim | 6.42 | 0.0 | 0.54 | 3.51 | -17.18 | 3.53 | -7.46 | 1.53 | 0.0155 | 420.1 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 12 | Tim | 6.42 | 0.0 | 0.20 | 4.43 | -17.59 | 4.43 | -7.64 | 1.93 | 0.0124 | 330.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 13 | Tim | 6.42 | 0.0 | 1.52 | 4.75 | -16.31 | 4.78 | -7.08 | 2.08 | 0.0242 | 170.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 14 | Tim | 6.42 | 0.0 | 2.44 | 4.24 | -15.36 | 4.25 | -6.67 | 1.85 | 0.0155 | 300.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 15 | Tim | 6.42 | 0.0 | 0.97 | 3.28 | -16.87 | 3.29 | -7.33 | 1.43 | 0.0155 | 340.2 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 16 | Tim | 6.42 | 0.0 | 1.22 | 3.80 | -16.57 | 3.82 | -7.19 | 1.66 | 0.0193 | 270.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 17 | Tim | 6.42 | 0.0 | 1.95 | 4.69 | -15.94 | 4.70 | -6.92 | 2.04 | 0.0302 | 180.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 18 | Tim | 6.42 | 0.0 | 1.59 | 4.25 | -16.26 | 4.27 | -7.06 | 1.85 | 0.0193 | 290.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 19 | Tim | 6.42 | 0.0 | 1.01 | 4.58 | -16.68 | 4.59 | -7.24 | 1.99 | 0.0193 | 270.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 20 | Tim | 6.42 | 0.0 | 1.56 | 4.72 | -16.22 | 4.76 | -7.05 | 2.07 | 0.0193 | 200.2 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 21 | Tim | 6.42 | 0.0 | 1.18 | 4.77 | -16.79 | 4.79 | -7.29 | 2.08 | 0.0193 | 290.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 22 | Tim | 6.42 | 0.0 | -1.36 | 4.12 | -19.23 | 4.13 | -8.35 | 1.79 | 0.0193 | 170.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 23 | Tim | 6.42 | 0.0 | 1.96 | 4.50 | -15.86 | 4.52 | -6.89 | 1.96 | 0.0193 | 200.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 24 | Tim | 6.42 | 0.0 | 1.90 | 4.28 | -15.98 | 4.30 | -6.94 | 1.87 | 0.0193 | 260.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 25 | Tim | 6.42 | 0.0 | 0.36 | 4.14 | -17.52 | 4.16 | -7.61 | 1.81 | 0.0155 | 360.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 26 | Tim | 6.42 | 0.0 | 1.69 | 4.88 | -16.16 | 4.89 | -7.02 | 2.12 | 0.0242 | 310.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 27 | Tim | 6.42 | 0.0 | -0.10 | 3.88 | -17.76 | 3.90 | -7.71 | 1.69 | 0.0124 | 370.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 28 | Tim | 6.42 | 0.0 | 2.27 | 3.99 | -15.73 | 4.01 | -6.83 | 1.74 | 0.0155 | 300.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 29 | Tim | 6.42 | 0.0 | 0.27 | 3.80 | -17.41 | 3.83 | -7.56 | 1.66 | 0.0124 | 400.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 30 | Tim | 6.42 | 0.0 | 0.13 | 3.64 | -17.66 | 3.66 | -7.67 | 1.59 | 0.0155 | 400.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 31 | Tim | 6.42 | 0.0 | 1.55 | 4.12 | -16.36 | 4.16 | -7.11 | 1.81 | 0.0124 | 410.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 32 | Tim | 6.42 | 0.0 | 2.10 | 4.26 | -15.62 | 4.27 | -6.78 | 1.86 | 0.0193 | 520.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 33 | Tim | 6.42 | 0.0 | -0.41 | 3.18 | -18.25 | 3.21 | -7.93 | 1.40 | 0.0155 | 440.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 34 | Tim | 6.42 | 0.0 | 1.58 | 5.21 | -16.25 | 5.22 | -7.06 | 2.27 | 0.0242 | 370.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 35 | Tim | 6.42 | 0.0 | 2.14 | 4.58 | -15.74 | 4.61 | -6.84 | 2.00 | 0.0193 | 320.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 36 | Tim | 6.42 | 0.0 | 0.79 | 4.05 | -17.01 | 4.07 | -7.39 | 1.77 | 0.0099 | 300.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 37 | Tim | 6.42 | 0.0 | 0.91 | 4.40 | -16.91 | 4.42 | -7.35 | 1.92 | 0.0155 | 270.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 38 | Tim | 6.42 | 0.0 | 0.73 | 2.90 | -17.04 | 2.92 | -7.40 | 1.27 | 0.0124 | 490.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 39 | Tim | 6.42 | 0.0 | 1.89 | 4.12 | -15.98 | 4.14 | -6.94 | 1.80 | 0.0193 | 300.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 40 | Tim | 6.42 | 0.0 | 1.08 | 4.54 | -16.65 | 4.55 | -7.23 | 1.98 | 0.0155 | 330.1 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 41 | Tim | 6.42 | 0.0 | 1.91 | 4.03 | -16.12 | 4.06 | -7.00 | 1.76 | 0.0193 | 340.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 42 | Tim | 6.42 | 0.0 | 1.47 | 4.20 | -16.33 | 4.21 | -7.09 | 1.83 | 0.0193 | 450.2 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 43 | Tim | 6.42 | 0.0 | 2.32 | 4.77 | -15.57 | 4.80 | -6.76 | 2.08 | 0.0302 | 160.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 44 | Tim | 6.42 | 0.0 | 1.53 | 3.56 | -16.40 | 3.57 | -7.12 | 1.55 | 0.0155 | 350.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 45 | Tim | 6.42 | 0.0 | 0.47 | 3.21 | -17.58 | 3.25 | -7.63 | 1.41 | 0.0079 | 430.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 46 | Tim | 6.42 | 0.0 | 2.23 | 3.92 | -15.61 | 3.93 | -6.78 | 1.71 | 0.0124 | 290.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 47 | Tim | 6.42 | 0.0 | 3.71 | 6.32 | -14.13 | 6.33 | -6.14 | 2.75 | 0.0302 | 120.0 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 48 | Tim | 6.42 | 0.0 | 2.77 | 5.56 | -14.82 | 5.57 | -6.44 | 2.42 | 0.0155 | 300.1 | True |
| 18433 | 62 | RL_12 | G10 | 1 | 49 | Tim | 6.42 | 0.0 | 0.46 | 4.24 | -17.51 | 4.26 | -7.61 | 1.85 | 0.0124 | 240.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 18 | L | G10 | 1 | 0 | Tim | -24.28 | 0.41 | 0.0002 | 230.25 | True |
| 18434 | 18 | L | G10 | 1 | 1 | Tim | -24.27 | 0.36 | 0.0001 | 300.1 | True |
| 18434 | 18 | L | G10 | 1 | 2 | Tim | -24.20 | 0.33 | 0.0007 | 200.5 | True |
| 18434 | 18 | L | G10 | 1 | 3 | Tim | -24.09 | 0.56 | 0.0011 | 150.0 | True |
| 18434 | 18 | L | G10 | 1 | 4 | Tim | -24.28 | 0.44 | 0.0011 | 210.15 | True |
| 18434 | 18 | L | G10 | 1 | 5 | Tim | -24.26 | 0.42 | 0.0007 | 170.0 | True |
| 18434 | 18 | L | G10 | 1 | 6 | Tim | -24.22 | 0.43 | 0.0003 | 200.0 | True |
| 18434 | 18 | L | G10 | 1 | 7 | Tim | -24.12 | 0.32 | 0.0009 | 140.0 | True |
| 18434 | 18 | L | G10 | 1 | 8 | Tim | -24.23 | 0.41 | 0.0005 | 230.0 | True |
| 18434 | 18 | L | G10 | 1 | 9 | Tim | -24.24 | 0.37 | 0.0001 | 240.0 | True |
| 18434 | 18 | L | G10 | 1 | 10 | Tim | -24.28 | 0.38 | 0.0009 | 180.0 | True |
| 18434 | 18 | L | G10 | 1 | 11 | Tim | -24.14 | 0.34 | 0.0001 | 280.05 | True |
| 18434 | 18 | L | G10 | 1 | 12 | Tim | -24.20 | 0.23 | 0.0001 | 230.25 | True |
| 18434 | 18 | L | G10 | 1 | 13 | Tim | -24.24 | 0.56 | 0.0011 | 160.0 | True |
| 18434 | 18 | L | G10 | 1 | 14 | Tim | -24.21 | 0.35 | 0.0003 | 240.0 | True |
| 18434 | 18 | L | G10 | 1 | 15 | Tim | -24.25 | 0.34 | 0.0007 | 170.0 | True |
| 18434 | 18 | L | G10 | 1 | 16 | Tim | -24.20 | 0.44 | 0.0007 | 200.0 | True |
| 18434 | 18 | L | G10 | 1 | 17 | Tim | -24.31 | 0.30 | 0.0003 | 200.0 | True |
| 18434 | 18 | L | G10 | 1 | 18 | Tim | -24.26 | 0.43 | 0.0009 | 170.1 | True |
| 18434 | 18 | L | G10 | 1 | 19 | Tim | -24.11 | 0.32 | 0.0003 | 210.0 | True |
| 18434 | 18 | L | G10 | 1 | 20 | Tim | -24.20 | 0.63 | 0.0041 | 110.05 | True |
| 18434 | 18 | L | G10 | 1 | 21 | Tim | -24.39 | 0.40 | 0.0002 | 210.2 | True |
| 18434 | 18 | L | G10 | 1 | 22 | Tim | -24.28 | 0.31 | 0.0000 | 360.0 | True |
| 18434 | 18 | L | G10 | 1 | 23 | Tim | -24.24 | 0.39 | 0.0003 | 210.05 | True |
| 18434 | 18 | L | G10 | 1 | 24 | Tim | -24.30 | 0.37 | 0.0005 | 180.0 | True |
| 18434 | 18 | L | G10 | 1 | 25 | Tim | -24.30 | 0.36 | 0.0002 | 280.15 | True |
| 18434 | 18 | L | G10 | 1 | 26 | Tim | -24.26 | 0.36 | 0.0002 | 220.15 | True |
| 18434 | 18 | L | G10 | 1 | 27 | Tim | -24.08 | 0.40 | 0.0001 | 210.1 | True |
| 18434 | 18 | L | G10 | 1 | 28 | Tim | -24.42 | 0.40 | 0.0007 | 180.2 | True |
| 18434 | 18 | L | G10 | 1 | 29 | Tim | -24.10 | 0.44 | 0.0005 | 160.0 | True |
| 18434 | 18 | L | G10 | 1 | 30 | Tim | -24.20 | 0.42 | 0.0026 | 120.0 | True |
| 18434 | 18 | L | G10 | 1 | 31 | Tim | -24.33 | 0.54 | 0.0041 | 100.0 | True |
| 18434 | 18 | L | G10 | 1 | 32 | Tim | -24.14 | 0.31 | 0.0001 | 260.0 | True |
| 18434 | 18 | L | G10 | 1 | 33 | Tim | -24.25 | 0.47 | 0.0011 | 150.25 | True |
| 18434 | 18 | L | G10 | 1 | 34 | Tim | -24.24 | 0.37 | 0.0011 | 180.0 | True |
| 18434 | 18 | L | G10 | 1 | 35 | Tim | -24.30 | 0.54 | 0.0005 | 150.0 | True |
| 18434 | 18 | L | G10 | 1 | 36 | Tim | -24.21 | 0.41 | 0.0007 | 170.0 | True |
| 18434 | 18 | L | G10 | 1 | 37 | Tim | -24.23 | 0.41 | 0.0002 | 230.15 | True |
| 18434 | 18 | L | G10 | 1 | 38 | Tim | -24.19 | 0.38 | 0.0003 | 200.0 | True |
| 18434 | 18 | L | G10 | 1 | 39 | Tim | -24.29 | 0.34 | 0.0007 | 160.15 | True |
| 18434 | 18 | L | G10 | 1 | 40 | Tim | -24.15 | 0.31 | 0.0003 | 230.0 | True |
| 18434 | 18 | L | G10 | 1 | 41 | Tim | -24.44 | 0.46 | 0.0017 | 130.0 | True |
| 18434 | 18 | L | G10 | 1 | 42 | Tim | -24.22 | 0.32 | 0.0005 | 180.0 | True |
| 18434 | 18 | L | G10 | 1 | 43 | Tim | -24.31 | 0.48 | 0.0021 | 150.0 | True |
| 18434 | 18 | L | G10 | 1 | 44 | Tim | -24.34 | 0.31 | 0.0003 | 210.0 | True |
| 18434 | 18 | L | G10 | 1 | 45 | Tim | -24.46 | 0.51 | 0.0021 | 120.0 | True |
| 18434 | 18 | L | G10 | 1 | 46 | Tim | -24.26 | 0.33 | 0.0004 | 190.2 | True |
| 18434 | 18 | L | G10 | 1 | 47 | Tim | -24.26 | 0.32 | 0.0005 | 180.05 | True |
| 18434 | 18 | L | G10 | 1 | 48 | Tim | -24.01 | 0.34 | 0.0007 | 160.0 | True |
| 18434 | 18 | L | G10 | 1 | 49 | Tim | -24.39 | 0.37 | 0.0011 | 210.25 | True |