| 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 | 61 | RL_12 | G9 | 2 | 0 | Rob | 6.42 | 0.0 | 59.07 | 3.01 | -12.40 | 3.02 | -5.39 | 1.31 | 0.0079 | 380.25 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 1 | Rob | 6.42 | 0.0 | 57.95 | 2.86 | -13.50 | 2.87 | -5.86 | 1.25 | 0.0079 | 330.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 2 | Rob | 6.42 | 0.0 | 59.19 | 3.03 | -12.27 | 3.03 | -5.33 | 1.32 | 0.0124 | 330.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 3 | Rob | 6.42 | 0.0 | 58.04 | 2.84 | -13.50 | 2.85 | -5.86 | 1.24 | 0.0079 | 350.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 4 | Rob | 6.42 | 0.0 | 59.26 | 3.17 | -12.27 | 3.18 | -5.33 | 1.38 | 0.0079 | 340.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 5 | Rob | 6.42 | 0.0 | 59.31 | 3.43 | -12.18 | 3.43 | -5.29 | 1.49 | 0.0099 | 410.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 6 | Rob | 6.42 | 0.0 | 59.91 | 4.86 | -11.55 | 4.87 | -5.02 | 2.11 | 0.0124 | 390.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 7 | Rob | 6.42 | 0.0 | 58.71 | 2.47 | -12.80 | 2.48 | -5.56 | 1.08 | 0.0079 | 340.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 8 | Rob | 6.42 | 0.0 | 58.28 | 3.05 | -13.10 | 3.06 | -5.69 | 1.33 | 0.0079 | 290.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 9 | Rob | 6.42 | 0.0 | 58.80 | 2.80 | -12.66 | 2.81 | -5.50 | 1.22 | 0.0124 | 440.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 10 | Rob | 6.42 | 0.0 | 59.74 | 4.59 | -11.81 | 4.60 | -5.13 | 2.00 | 0.0099 | 340.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 11 | Rob | 6.42 | 0.0 | 59.75 | 3.28 | -11.68 | 3.29 | -5.07 | 1.43 | 0.0124 | 420.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 12 | Rob | 6.42 | 0.0 | 58.48 | 2.52 | -12.96 | 2.53 | -5.63 | 1.10 | 0.0079 | 310.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 13 | Rob | 6.42 | 0.0 | 58.60 | 2.58 | -12.88 | 2.59 | -5.59 | 1.13 | 0.0079 | 430.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 14 | Rob | 6.42 | 0.0 | 59.08 | 3.87 | -12.47 | 3.88 | -5.42 | 1.68 | 0.0155 | 350.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 15 | Rob | 6.42 | 0.0 | 58.16 | 2.89 | -13.33 | 2.90 | -5.79 | 1.26 | 0.0124 | 260.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 16 | Rob | 6.42 | 0.0 | 58.53 | 2.91 | -12.98 | 2.91 | -5.64 | 1.26 | 0.0079 | 320.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 17 | Rob | 6.42 | 0.0 | 58.21 | 2.57 | -13.15 | 2.58 | -5.71 | 1.12 | 0.0063 | 450.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 18 | Rob | 6.42 | 0.0 | 58.22 | 2.59 | -13.09 | 2.61 | -5.68 | 1.13 | 0.0079 | 290.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 19 | Rob | 6.42 | 0.0 | 59.35 | 3.05 | -12.08 | 3.06 | -5.24 | 1.33 | 0.0079 | 360.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 20 | Rob | 6.42 | 0.0 | 58.80 | 2.97 | -12.69 | 2.99 | -5.51 | 1.30 | 0.0099 | 250.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 21 | Rob | 6.42 | 0.0 | 58.90 | 2.69 | -12.59 | 2.70 | -5.47 | 1.17 | 0.0124 | 340.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 22 | Rob | 6.42 | 0.0 | 58.21 | 2.82 | -13.36 | 2.84 | -5.80 | 1.23 | 0.0051 | 560.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 23 | Rob | 6.42 | 0.0 | 58.38 | 3.16 | -13.09 | 3.17 | -5.68 | 1.38 | 0.0099 | 260.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 24 | Rob | 6.42 | 0.0 | 58.84 | 2.68 | -12.56 | 2.68 | -5.45 | 1.17 | 0.0099 | 260.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 25 | Rob | 6.42 | 0.0 | 58.19 | 2.66 | -13.32 | 2.67 | -5.78 | 1.16 | 0.0099 | 350.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 26 | Rob | 6.42 | 0.0 | 58.70 | 3.36 | -12.71 | 3.37 | -5.52 | 1.46 | 0.0124 | 340.05 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 27 | Rob | 6.42 | 0.0 | 58.22 | 2.61 | -13.17 | 2.63 | -5.72 | 1.14 | 0.0099 | 320.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 28 | Rob | 6.42 | 0.0 | 58.49 | 2.67 | -12.96 | 2.68 | -5.63 | 1.16 | 0.0079 | 470.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 29 | Rob | 6.42 | 0.0 | 59.17 | 2.99 | -12.36 | 3.00 | -5.37 | 1.31 | 0.0063 | 420.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 30 | Rob | 6.42 | 0.0 | 57.94 | 2.35 | -13.46 | 2.36 | -5.85 | 1.02 | 0.0124 | 240.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 31 | Rob | 6.42 | 0.0 | 58.31 | 2.76 | -12.99 | 2.78 | -5.64 | 1.21 | 0.0155 | 200.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 32 | Rob | 6.42 | 0.0 | 59.21 | 3.21 | -12.28 | 3.22 | -5.33 | 1.40 | 0.0099 | 290.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 33 | Rob | 6.42 | 0.0 | 58.86 | 2.72 | -12.60 | 2.73 | -5.47 | 1.18 | 0.0063 | 590.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 34 | Rob | 6.42 | 0.0 | 58.60 | 2.42 | -12.94 | 2.44 | -5.62 | 1.06 | 0.0079 | 470.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 35 | Rob | 6.42 | 0.0 | 58.55 | 2.64 | -12.91 | 2.65 | -5.61 | 1.15 | 0.0124 | 190.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 36 | Rob | 6.42 | 0.0 | 60.05 | 3.33 | -11.49 | 3.33 | -4.99 | 1.45 | 0.0124 | 350.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 37 | Rob | 6.42 | 0.0 | 58.79 | 2.67 | -12.79 | 2.68 | -5.56 | 1.17 | 0.0099 | 380.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 38 | Rob | 6.42 | 0.0 | 57.91 | 2.44 | -13.50 | 2.45 | -5.86 | 1.06 | 0.0099 | 240.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 39 | Rob | 6.42 | 0.0 | 59.46 | 3.54 | -11.94 | 3.54 | -5.19 | 1.54 | 0.0124 | 310.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 40 | Rob | 6.42 | 0.0 | 58.38 | 2.49 | -13.10 | 2.50 | -5.69 | 1.09 | 0.0099 | 400.2 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 41 | Rob | 6.42 | 0.0 | 58.74 | 2.92 | -12.68 | 2.94 | -5.51 | 1.28 | 0.0124 | 360.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 42 | Rob | 6.42 | 0.0 | 58.44 | 2.71 | -13.02 | 2.72 | -5.65 | 1.18 | 0.0155 | 330.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 43 | Rob | 6.42 | 0.0 | 58.49 | 2.49 | -13.02 | 2.50 | -5.65 | 1.09 | 0.0099 | 320.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 44 | Rob | 6.42 | 0.0 | 59.06 | 2.87 | -12.46 | 2.88 | -5.41 | 1.25 | 0.0079 | 370.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 45 | Rob | 6.42 | 0.0 | 57.93 | 3.03 | -13.37 | 3.04 | -5.80 | 1.32 | 0.0124 | 230.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 46 | Rob | 6.42 | 0.0 | 58.09 | 4.90 | -13.47 | 4.91 | -5.85 | 2.13 | 0.0378 | 70.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 47 | Rob | 6.42 | 0.0 | 58.61 | 3.06 | -12.81 | 3.06 | -5.56 | 1.33 | 0.0193 | 210.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 48 | Rob | 6.42 | 0.0 | 58.03 | 2.94 | -13.53 | 2.95 | -5.88 | 1.28 | 0.0155 | 320.0 | True |
| 18433 | 61 | RL_12 | G9 | 2 | 49 | Rob | 6.42 | 0.0 | 59.51 | 4.11 | -12.12 | 4.11 | -5.26 | 1.79 | 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 | 17 | L | G9 | 2 | 0 | Rob | -77.88 | 0.23 | 0.0000 | 210.0 | True |
| 18434 | 17 | L | G9 | 2 | 1 | Rob | -77.86 | 0.27 | 0.0001 | 160.05 | True |
| 18434 | 17 | L | G9 | 2 | 2 | Rob | -77.87 | 0.20 | 0.0000 | 234.7 | True |
| 18434 | 17 | L | G9 | 2 | 3 | Rob | -77.96 | 0.19 | 0.0000 | 220.65 | True |
| 18434 | 17 | L | G9 | 2 | 4 | Rob | -77.94 | 0.28 | 0.0003 | 170.05 | True |
| 18434 | 17 | L | G9 | 2 | 5 | Rob | -77.90 | 0.22 | 0.0001 | 190.0 | True |
| 18434 | 17 | L | G9 | 2 | 6 | Rob | -77.88 | 0.29 | 0.0000 | 220.0 | True |
| 18434 | 17 | L | G9 | 2 | 7 | Rob | -77.93 | 0.15 | 0.0000 | 237.3 | True |
| 18434 | 17 | L | G9 | 2 | 8 | Rob | -77.79 | 0.18 | 0.0000 | 200.25 | True |
| 18434 | 17 | L | G9 | 2 | 9 | Rob | -77.87 | 0.25 | 0.0002 | 170.0 | True |
| 18434 | 17 | L | G9 | 2 | 10 | Rob | -77.96 | 0.20 | 0.0001 | 170.0 | True |
| 18434 | 17 | L | G9 | 2 | 11 | Rob | -77.85 | 0.23 | 0.0000 | 210.0 | True |
| 18434 | 17 | L | G9 | 2 | 12 | Rob | -77.85 | 0.24 | 0.0001 | 170.0 | True |
| 18434 | 17 | L | G9 | 2 | 13 | Rob | -77.89 | 0.25 | 0.0001 | 190.0 | True |
| 18434 | 17 | L | G9 | 2 | 14 | Rob | -77.97 | 0.17 | 0.0000 | 240.0 | True |
| 18434 | 17 | L | G9 | 2 | 15 | Rob | -77.91 | 0.19 | 0.0001 | 170.1 | True |
| 18434 | 17 | L | G9 | 2 | 16 | Rob | -77.93 | 0.16 | 0.0000 | 232.85 | True |
| 18434 | 17 | L | G9 | 2 | 17 | Rob | -77.77 | 0.24 | 0.0000 | 180.0 | True |
| 18434 | 17 | L | G9 | 2 | 18 | Rob | -77.72 | 0.33 | 0.0005 | 130.0 | True |
| 18434 | 17 | L | G9 | 2 | 19 | Rob | -77.84 | 0.19 | 0.0001 | 170.0 | True |
| 18434 | 17 | L | G9 | 2 | 20 | Rob | -77.91 | 0.27 | 0.0001 | 160.0 | True |
| 18434 | 17 | L | G9 | 2 | 21 | Rob | -77.91 | 0.18 | 0.0000 | 254.2 | True |
| 18434 | 17 | L | G9 | 2 | 22 | Rob | -77.99 | 0.32 | 0.0009 | 120.0 | True |
| 18434 | 17 | L | G9 | 2 | 23 | Rob | -77.88 | 0.28 | 0.0001 | 190.25 | True |
| 18434 | 17 | L | G9 | 2 | 24 | Rob | -77.82 | 0.16 | 0.0000 | 222.75 | True |
| 18434 | 17 | L | G9 | 2 | 25 | Rob | -77.92 | 0.28 | 0.0002 | 130.65 | True |
| 18434 | 17 | L | G9 | 2 | 26 | Rob | -77.82 | 0.19 | 0.0000 | 225.65 | True |
| 18434 | 17 | L | G9 | 2 | 27 | Rob | -77.80 | 0.24 | 0.0011 | 90.0 | True |
| 18434 | 17 | L | G9 | 2 | 28 | Rob | -77.86 | 0.23 | 0.0003 | 130.0 | True |
| 18434 | 17 | L | G9 | 2 | 29 | Rob | -77.94 | 0.33 | 0.0007 | 120.0 | True |
| 18434 | 17 | L | G9 | 2 | 30 | Rob | -77.82 | 0.23 | 0.0004 | 140.05 | True |
| 18434 | 17 | L | G9 | 2 | 31 | Rob | -77.72 | 0.37 | 0.0007 | 110.0 | True |
| 18434 | 17 | L | G9 | 2 | 32 | Rob | -77.91 | 0.32 | 0.0004 | 130.05 | True |
| 18434 | 17 | L | G9 | 2 | 33 | Rob | -77.87 | 0.23 | 0.0000 | 256.25 | True |
| 18434 | 17 | L | G9 | 2 | 34 | Rob | -77.96 | 0.31 | 0.0002 | 140.2 | True |
| 18434 | 17 | L | G9 | 2 | 35 | Rob | -77.88 | 0.23 | 0.0000 | 180.0 | True |
| 18434 | 17 | L | G9 | 2 | 36 | Rob | -77.95 | 0.18 | 0.0000 | 222.8 | True |
| 18434 | 17 | L | G9 | 2 | 37 | Rob | -78.00 | 0.23 | 0.0000 | 214.65 | True |
| 18434 | 17 | L | G9 | 2 | 38 | Rob | -77.83 | 0.22 | 0.0000 | 180.05 | True |
| 18434 | 17 | L | G9 | 2 | 39 | Rob | -77.82 | 0.22 | 0.0000 | 190.25 | True |
| 18434 | 17 | L | G9 | 2 | 40 | Rob | -77.89 | 0.23 | 0.0000 | 298.1 | True |
| 18434 | 17 | L | G9 | 2 | 41 | Rob | -77.84 | 0.32 | 0.0009 | 110.0 | True |
| 18434 | 17 | L | G9 | 2 | 42 | Rob | -77.87 | 0.20 | 0.0000 | 230.3 | True |
| 18434 | 17 | L | G9 | 2 | 43 | Rob | -77.92 | 0.28 | 0.0001 | 180.0 | True |
| 18434 | 17 | L | G9 | 2 | 44 | Rob | -77.94 | 0.21 | 0.0001 | 190.0 | True |
| 18434 | 17 | L | G9 | 2 | 45 | Rob | -77.71 | 0.29 | 0.0004 | 120.05 | True |
| 18434 | 17 | L | G9 | 2 | 46 | Rob | -77.98 | 0.31 | 0.0004 | 140.0 | True |
| 18434 | 17 | L | G9 | 2 | 47 | Rob | -77.83 | 0.22 | 0.0000 | 235.6 | True |
| 18434 | 17 | L | G9 | 2 | 48 | Rob | -77.97 | 0.25 | 0.0000 | 230.25 | True |
| 18434 | 17 | L | G9 | 2 | 49 | Rob | -78.04 | 0.25 | 0.0001 | 170.0 | True |