| 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 | 37 | RL_10 | G9 | 1 | 0 | Rob | 6.42 | 0.0 | 102.18 | 4.17 | -13.23 | 4.18 | -5.74 | 1.82 | 0.0155 | 350.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 1 | Rob | 6.42 | 0.0 | 101.98 | 3.95 | -13.46 | 3.96 | -5.85 | 1.72 | 0.0155 | 370.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 2 | Rob | 6.42 | 0.0 | 101.76 | 3.74 | -13.64 | 3.75 | -5.93 | 1.63 | 0.0193 | 320.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 3 | Rob | 6.42 | 0.0 | 100.80 | 3.90 | -14.68 | 3.91 | -6.38 | 1.70 | 0.0099 | 310.1 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 4 | Rob | 6.42 | 0.0 | 101.13 | 3.17 | -14.34 | 3.18 | -6.23 | 1.38 | 0.0155 | 480.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 5 | Rob | 6.42 | 0.0 | 102.13 | 4.58 | -13.31 | 4.58 | -5.78 | 1.99 | 0.0193 | 240.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 6 | Rob | 6.42 | 0.0 | 101.10 | 3.79 | -14.41 | 3.80 | -6.26 | 1.65 | 0.0155 | 250.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 7 | Rob | 6.42 | 0.0 | 101.21 | 3.45 | -14.35 | 3.47 | -6.23 | 1.51 | 0.0099 | 430.2 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 8 | Rob | 6.42 | 0.0 | 101.87 | 3.80 | -13.53 | 3.80 | -5.88 | 1.65 | 0.0193 | 330.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 9 | Rob | 6.42 | 0.0 | 101.69 | 5.18 | -13.68 | 5.18 | -5.94 | 2.25 | 0.0242 | 280.0 | False |
| 18433 | 37 | RL_10 | G9 | 1 | 10 | Rob | 6.42 | 0.0 | 101.07 | 3.12 | -14.45 | 3.14 | -6.27 | 1.36 | 0.0124 | 380.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 11 | Rob | 6.42 | 0.0 | 100.95 | 4.47 | -14.56 | 4.49 | -6.32 | 1.95 | 0.0193 | 270.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 12 | Rob | 6.42 | 0.0 | 102.24 | 3.77 | -13.23 | 3.78 | -5.74 | 1.64 | 0.0155 | 350.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 13 | Rob | 6.42 | 0.0 | 103.35 | 6.90 | -12.14 | 6.90 | -5.27 | 3.00 | 0.0242 | 270.0 | False |
| 18433 | 37 | RL_10 | G9 | 1 | 14 | Rob | 6.42 | 0.0 | 101.87 | 5.25 | -13.73 | 5.26 | -5.96 | 2.28 | 0.0242 | 230.0 | False |
| 18433 | 37 | RL_10 | G9 | 1 | 15 | Rob | 6.42 | 0.0 | 101.68 | 3.51 | -13.74 | 3.53 | -5.97 | 1.53 | 0.0155 | 330.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 16 | Rob | 6.42 | 0.0 | 101.98 | 4.35 | -13.40 | 4.36 | -5.82 | 1.89 | 0.0242 | 350.0 | False |
| 18433 | 37 | RL_10 | G9 | 1 | 17 | Rob | 6.42 | 0.0 | 101.13 | 3.63 | -14.27 | 3.65 | -6.20 | 1.59 | 0.0242 | 190.0 | False |
| 18433 | 37 | RL_10 | G9 | 1 | 18 | Rob | 6.42 | 0.0 | 102.31 | 3.47 | -13.18 | 3.49 | -5.72 | 1.52 | 0.0193 | 200.1 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 19 | Rob | 6.42 | 0.0 | 101.31 | 3.49 | -14.23 | 3.52 | -6.18 | 1.53 | 0.0155 | 380.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 20 | Rob | 6.42 | 0.0 | 102.39 | 3.65 | -13.08 | 3.66 | -5.68 | 1.59 | 0.0155 | 400.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 21 | Rob | 6.42 | 0.0 | 99.38 | 2.81 | -16.05 | 2.83 | -6.97 | 1.23 | 0.0155 | 210.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 22 | Rob | 6.42 | 0.0 | 103.57 | 7.46 | -11.85 | 7.46 | -5.15 | 3.24 | 0.0193 | 350.5 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 23 | Rob | 6.42 | 0.0 | 101.02 | 4.20 | -14.43 | 4.21 | -6.27 | 1.83 | 0.0193 | 240.3 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 24 | Rob | 6.42 | 0.0 | 101.52 | 4.00 | -13.96 | 4.00 | -6.06 | 1.74 | 0.0124 | 510.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 25 | Rob | 6.42 | 0.0 | 101.70 | 4.93 | -13.75 | 4.93 | -5.97 | 2.14 | 0.0193 | 280.2 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 26 | Rob | 6.42 | 0.0 | 101.89 | 5.44 | -13.69 | 5.45 | -5.95 | 2.37 | 0.0155 | 330.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 27 | Rob | 6.42 | 0.0 | 102.12 | 4.61 | -13.27 | 4.62 | -5.76 | 2.01 | 0.0124 | 370.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 28 | Rob | 6.42 | 0.0 | 102.62 | 5.31 | -12.87 | 5.32 | -5.59 | 2.31 | 0.0124 | 370.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 29 | Rob | 6.42 | 0.0 | 102.17 | 3.69 | -13.40 | 3.70 | -5.82 | 1.61 | 0.0155 | 340.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 30 | Rob | 6.42 | 0.0 | 100.97 | 3.76 | -14.57 | 3.78 | -6.33 | 1.64 | 0.0155 | 290.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 31 | Rob | 6.42 | 0.0 | 102.05 | 4.33 | -13.35 | 4.34 | -5.80 | 1.88 | 0.0124 | 350.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 32 | Rob | 6.42 | 0.0 | 101.08 | 3.91 | -14.68 | 3.95 | -6.37 | 1.72 | 0.0242 | 200.0 | False |
| 18433 | 37 | RL_10 | G9 | 1 | 33 | Rob | 6.42 | 0.0 | 100.42 | 4.03 | -15.10 | 4.04 | -6.56 | 1.76 | 0.0193 | 260.2 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 34 | Rob | 6.42 | 0.0 | 102.72 | 4.43 | -12.87 | 4.45 | -5.59 | 1.93 | 0.0155 | 350.1 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 35 | Rob | 6.42 | 0.0 | 103.73 | 4.35 | -11.78 | 4.36 | -5.12 | 1.89 | 0.0193 | 270.5 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 36 | Rob | 6.42 | 0.0 | 101.27 | 5.28 | -14.22 | 5.28 | -6.17 | 2.30 | 0.0378 | 150.0 | False |
| 18433 | 37 | RL_10 | G9 | 1 | 37 | Rob | 6.42 | 0.0 | 101.43 | 3.78 | -14.14 | 3.79 | -6.14 | 1.64 | 0.0155 | 270.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 38 | Rob | 6.42 | 0.0 | 101.44 | 3.92 | -13.97 | 3.93 | -6.07 | 1.71 | 0.0124 | 470.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 39 | Rob | 6.42 | 0.0 | 101.10 | 3.07 | -14.33 | 3.09 | -6.22 | 1.34 | 0.0124 | 350.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 40 | Rob | 6.42 | 0.0 | 103.01 | 5.48 | -12.43 | 5.49 | -5.40 | 2.38 | 0.0193 | 180.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 41 | Rob | 6.42 | 0.0 | 101.69 | 3.93 | -13.93 | 3.94 | -6.05 | 1.71 | 0.0155 | 340.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 42 | Rob | 6.42 | 0.0 | 101.88 | 3.69 | -13.56 | 3.70 | -5.89 | 1.61 | 0.0155 | 350.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 43 | Rob | 6.42 | 0.0 | 101.86 | 4.53 | -13.52 | 4.54 | -5.87 | 1.97 | 0.0155 | 390.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 44 | Rob | 6.42 | 0.0 | 101.64 | 3.44 | -13.59 | 3.51 | -5.90 | 1.53 | 0.0155 | 390.2 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 45 | Rob | 6.42 | 0.0 | 101.10 | 3.76 | -14.58 | 3.79 | -6.33 | 1.65 | 0.0124 | 410.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 46 | Rob | 6.42 | 0.0 | 100.65 | 3.77 | -14.78 | 3.78 | -6.42 | 1.64 | 0.0378 | 120.0 | False |
| 18433 | 37 | RL_10 | G9 | 1 | 47 | Rob | 6.42 | 0.0 | 103.02 | 6.90 | -12.43 | 6.91 | -5.40 | 3.00 | 0.0378 | 160.0 | False |
| 18433 | 37 | RL_10 | G9 | 1 | 48 | Rob | 6.42 | 0.0 | 101.73 | 3.96 | -13.71 | 3.97 | -5.95 | 1.72 | 0.0193 | 310.0 | True |
| 18433 | 37 | RL_10 | G9 | 1 | 49 | Rob | 6.42 | 0.0 | 101.20 | 3.54 | -14.18 | 3.55 | -6.16 | 1.54 | 0.0193 | 240.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 16 | L | G9 | 1 | 0 | Rob | -121.82 | 0.20 | 0.0000 | 270.15 | True |
| 18434 | 16 | L | G9 | 1 | 1 | Rob | -121.86 | 0.30 | 0.0000 | 230.15 | True |
| 18434 | 16 | L | G9 | 1 | 2 | Rob | -121.82 | 0.31 | 0.0000 | 230.0 | True |
| 18434 | 16 | L | G9 | 1 | 3 | Rob | -121.90 | 0.26 | 0.0000 | 230.0 | True |
| 18434 | 16 | L | G9 | 1 | 4 | Rob | -121.88 | 0.23 | 0.0003 | 190.1 | True |
| 18434 | 16 | L | G9 | 1 | 5 | Rob | -121.86 | 0.25 | 0.0001 | 200.0 | True |
| 18434 | 16 | L | G9 | 1 | 6 | Rob | -121.92 | 0.27 | 0.0004 | 180.1 | True |
| 18434 | 16 | L | G9 | 1 | 7 | Rob | -121.98 | 0.39 | 0.0013 | 100.05 | True |
| 18434 | 16 | L | G9 | 1 | 8 | Rob | -121.82 | 0.23 | 0.0000 | 268.55 | True |
| 18434 | 16 | L | G9 | 1 | 9 | Rob | -121.79 | 0.29 | 0.0000 | 270.2 | True |
| 18434 | 16 | L | G9 | 1 | 10 | Rob | -121.93 | 0.28 | 0.0001 | 200.25 | True |
| 18434 | 16 | L | G9 | 1 | 11 | Rob | -121.92 | 0.35 | 0.0003 | 190.0 | True |
| 18434 | 16 | L | G9 | 1 | 12 | Rob | -121.88 | 0.23 | 0.0000 | 230.0 | True |
| 18434 | 16 | L | G9 | 1 | 13 | Rob | -121.90 | 0.21 | 0.0000 | 270.0 | True |
| 18434 | 16 | L | G9 | 1 | 14 | Rob | -122.02 | 0.23 | 0.0002 | 200.05 | True |
| 18434 | 16 | L | G9 | 1 | 15 | Rob | -121.83 | 0.30 | 0.0002 | 190.0 | True |
| 18434 | 16 | L | G9 | 1 | 16 | Rob | -121.80 | 0.20 | 0.0000 | 260.0 | True |
| 18434 | 16 | L | G9 | 1 | 17 | Rob | -121.81 | 0.36 | 0.0002 | 200.4 | True |
| 18434 | 16 | L | G9 | 1 | 18 | Rob | -121.90 | 0.41 | 0.0005 | 170.0 | True |
| 18434 | 16 | L | G9 | 1 | 19 | Rob | -121.95 | 0.47 | 0.0007 | 160.0 | True |
| 18434 | 16 | L | G9 | 1 | 20 | Rob | -121.89 | 0.26 | 0.0002 | 200.0 | True |
| 18434 | 16 | L | G9 | 1 | 21 | Rob | -121.84 | 0.35 | 0.0001 | 210.15 | True |
| 18434 | 16 | L | G9 | 1 | 22 | Rob | -121.84 | 0.23 | 0.0001 | 180.0 | True |
| 18434 | 16 | L | G9 | 1 | 23 | Rob | -121.87 | 0.24 | 0.0005 | 170.35 | True |
| 18434 | 16 | L | G9 | 1 | 24 | Rob | -121.90 | 0.25 | 0.0000 | 270.0 | True |
| 18434 | 16 | L | G9 | 1 | 25 | Rob | -121.86 | 0.25 | 0.0011 | 140.0 | True |
| 18434 | 16 | L | G9 | 1 | 26 | Rob | -122.00 | 0.34 | 0.0004 | 180.85 | True |
| 18434 | 16 | L | G9 | 1 | 27 | Rob | -121.79 | 0.27 | 0.0005 | 160.0 | True |
| 18434 | 16 | L | G9 | 1 | 28 | Rob | -121.91 | 0.28 | 0.0001 | 200.1 | True |
| 18434 | 16 | L | G9 | 1 | 29 | Rob | -121.99 | 0.31 | 0.0013 | 100.0 | True |
| 18434 | 16 | L | G9 | 1 | 30 | Rob | -121.95 | 0.39 | 0.0002 | 180.05 | True |
| 18434 | 16 | L | G9 | 1 | 31 | Rob | -121.82 | 0.28 | 0.0002 | 200.0 | True |
| 18434 | 16 | L | G9 | 1 | 32 | Rob | -122.18 | 0.55 | 0.0124 | 50.0 | False |
| 18434 | 16 | L | G9 | 1 | 33 | Rob | -121.94 | 0.32 | 0.0001 | 190.0 | True |
| 18434 | 16 | L | G9 | 1 | 34 | Rob | -121.99 | 0.37 | 0.0005 | 160.0 | True |
| 18434 | 16 | L | G9 | 1 | 35 | Rob | -121.93 | 0.31 | 0.0002 | 170.0 | True |
| 18434 | 16 | L | G9 | 1 | 36 | Rob | -121.90 | 0.30 | 0.0001 | 210.05 | True |
| 18434 | 16 | L | G9 | 1 | 37 | Rob | -121.99 | 0.25 | 0.0000 | 290.0 | True |
| 18434 | 16 | L | G9 | 1 | 38 | Rob | -121.82 | 0.33 | 0.0001 | 180.0 | True |
| 18434 | 16 | L | G9 | 1 | 39 | Rob | -121.85 | 0.32 | 0.0005 | 160.1 | True |
| 18434 | 16 | L | G9 | 1 | 40 | Rob | -121.86 | 0.32 | 0.0001 | 230.0 | True |
| 18434 | 16 | L | G9 | 1 | 41 | Rob | -122.03 | 0.32 | 0.0007 | 140.2 | True |
| 18434 | 16 | L | G9 | 1 | 42 | Rob | -121.86 | 0.28 | 0.0001 | 220.0 | True |
| 18434 | 16 | L | G9 | 1 | 43 | Rob | -121.80 | 0.24 | 0.0001 | 240.1 | True |
| 18434 | 16 | L | G9 | 1 | 44 | Rob | -121.64 | 0.70 | 0.0738 | 20.0 | False |
| 18434 | 16 | L | G9 | 1 | 45 | Rob | -122.09 | 0.46 | 0.0026 | 110.0 | True |
| 18434 | 16 | L | G9 | 1 | 46 | Rob | -121.85 | 0.22 | 0.0000 | 260.0 | True |
| 18434 | 16 | L | G9 | 1 | 47 | Rob | -121.87 | 0.28 | 0.0003 | 170.0 | True |
| 18434 | 16 | L | G9 | 1 | 48 | Rob | -121.85 | 0.25 | 0.0001 | 230.0 | True |
| 18434 | 16 | L | G9 | 1 | 49 | Rob | -121.79 | 0.30 | 0.0001 | 210.0 | True |