| 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 | 63 | RL_12 | G11 | 1 | 0 | Julie | 6.42 | 0.0 | -104.82 | 3.06 | -14.94 | 3.12 | -6.49 | 1.36 | 0.0124 | 250.1 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 1 | Julie | 6.42 | 0.0 | -105.01 | 3.18 | -14.87 | 3.20 | -6.46 | 1.39 | 0.0079 | 370.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 2 | Julie | 6.42 | 0.0 | -104.67 | 3.06 | -14.53 | 3.07 | -6.31 | 1.33 | 0.0124 | 400.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 3 | Julie | 6.42 | 0.0 | -105.40 | 3.61 | -15.27 | 3.62 | -6.63 | 1.57 | 0.0193 | 260.05 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 4 | Julie | 6.42 | 0.0 | -104.75 | 2.72 | -14.50 | 2.73 | -6.30 | 1.19 | 0.0124 | 420.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 5 | Julie | 6.42 | 0.0 | -104.14 | 3.17 | -13.89 | 3.19 | -6.03 | 1.38 | 0.0124 | 330.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 6 | Julie | 6.42 | 0.0 | -104.49 | 3.56 | -14.35 | 3.57 | -6.23 | 1.55 | 0.0099 | 360.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 7 | Julie | 6.42 | 0.0 | -104.98 | 3.01 | -14.78 | 3.02 | -6.42 | 1.31 | 0.0124 | 290.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 8 | Julie | 6.42 | 0.0 | -104.75 | 2.76 | -14.55 | 2.77 | -6.32 | 1.20 | 0.0124 | 300.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 9 | Julie | 6.42 | 0.0 | -105.04 | 5.01 | -14.89 | 5.01 | -6.47 | 2.18 | 0.0302 | 120.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 10 | Julie | 6.42 | 0.0 | -104.07 | 3.36 | -13.74 | 3.37 | -5.97 | 1.46 | 0.0193 | 370.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 11 | Julie | 6.42 | 0.0 | -104.54 | 3.05 | -14.34 | 3.06 | -6.23 | 1.33 | 0.0155 | 380.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 12 | Julie | 6.42 | 0.0 | -105.44 | 2.59 | -15.27 | 2.60 | -6.63 | 1.13 | 0.0124 | 290.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 13 | Julie | 6.42 | 0.0 | -104.95 | 3.19 | -14.75 | 3.20 | -6.41 | 1.39 | 0.0124 | 290.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 14 | Julie | 6.42 | 0.0 | -104.98 | 3.59 | -14.88 | 3.59 | -6.46 | 1.56 | 0.0155 | 490.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 15 | Julie | 6.42 | 0.0 | -104.88 | 3.40 | -14.59 | 3.41 | -6.34 | 1.48 | 0.0193 | 210.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 16 | Julie | 6.42 | 0.0 | -105.18 | 2.81 | -14.99 | 2.82 | -6.51 | 1.22 | 0.0099 | 400.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 17 | Julie | 6.42 | 0.0 | -104.17 | 3.22 | -14.02 | 3.23 | -6.09 | 1.40 | 0.0193 | 190.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 18 | Julie | 6.42 | 0.0 | -104.91 | 3.32 | -14.74 | 3.32 | -6.40 | 1.44 | 0.0124 | 410.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 19 | Julie | 6.42 | 0.0 | -104.91 | 3.23 | -14.78 | 3.24 | -6.42 | 1.41 | 0.0242 | 190.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 20 | Julie | 6.42 | 0.0 | -105.54 | 3.73 | -15.33 | 3.73 | -6.66 | 1.62 | 0.0155 | 240.2 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 21 | Julie | 6.42 | 0.0 | -106.02 | 2.91 | -15.81 | 2.92 | -6.87 | 1.27 | 0.0099 | 360.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 22 | Julie | 6.42 | 0.0 | -105.51 | 2.96 | -15.23 | 2.98 | -6.62 | 1.29 | 0.0155 | 300.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 23 | Julie | 6.42 | 0.0 | -105.14 | 3.77 | -15.05 | 3.78 | -6.54 | 1.64 | 0.0124 | 300.25 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 24 | Julie | 6.42 | 0.0 | -104.55 | 3.84 | -14.25 | 3.84 | -6.19 | 1.67 | 0.0155 | 260.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 25 | Julie | 6.42 | 0.0 | -104.36 | 2.94 | -14.20 | 2.96 | -6.17 | 1.28 | 0.0099 | 460.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 26 | Julie | 6.42 | 0.0 | -105.22 | 3.57 | -15.07 | 3.57 | -6.54 | 1.55 | 0.0193 | 170.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 27 | Julie | 6.42 | 0.0 | -105.22 | 2.79 | -14.90 | 2.81 | -6.47 | 1.22 | 0.0124 | 300.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 28 | Julie | 6.42 | 0.0 | -105.64 | 2.44 | -15.36 | 2.45 | -6.67 | 1.06 | 0.0079 | 430.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 29 | Julie | 6.42 | 0.0 | -105.49 | 4.06 | -15.32 | 4.08 | -6.65 | 1.77 | 0.0193 | 270.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 30 | Julie | 6.42 | 0.0 | -104.51 | 3.10 | -14.22 | 3.11 | -6.18 | 1.35 | 0.0155 | 370.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 31 | Julie | 6.42 | 0.0 | -104.95 | 3.30 | -14.81 | 3.31 | -6.43 | 1.44 | 0.0193 | 360.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 32 | Julie | 6.42 | 0.0 | -105.06 | 2.95 | -14.84 | 2.96 | -6.45 | 1.29 | 0.0099 | 450.1 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 33 | Julie | 6.42 | 0.0 | -104.53 | 3.05 | -14.29 | 3.06 | -6.20 | 1.33 | 0.0155 | 490.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 34 | Julie | 6.42 | 0.0 | -104.79 | 3.12 | -14.54 | 3.13 | -6.32 | 1.36 | 0.0099 | 290.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 35 | Julie | 6.42 | 0.0 | -104.11 | 3.64 | -13.89 | 3.64 | -6.03 | 1.58 | 0.0155 | 400.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 36 | Julie | 6.42 | 0.0 | -104.99 | 3.36 | -14.70 | 3.37 | -6.38 | 1.46 | 0.0155 | 290.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 37 | Julie | 6.42 | 0.0 | -104.00 | 4.46 | -13.67 | 4.48 | -5.94 | 1.94 | 0.0155 | 300.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 38 | Julie | 6.42 | 0.0 | -104.98 | 3.41 | -14.85 | 3.43 | -6.45 | 1.49 | 0.0155 | 310.55 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 39 | Julie | 6.42 | 0.0 | -104.49 | 3.04 | -14.25 | 3.05 | -6.19 | 1.32 | 0.0099 | 450.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 40 | Julie | 6.42 | 0.0 | -105.44 | 2.95 | -15.23 | 2.96 | -6.62 | 1.29 | 0.0079 | 430.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 41 | Julie | 6.42 | 0.0 | -105.36 | 3.33 | -15.23 | 3.33 | -6.61 | 1.45 | 0.0193 | 210.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 42 | Julie | 6.42 | 0.0 | -105.06 | 3.18 | -14.75 | 3.19 | -6.41 | 1.39 | 0.0242 | 150.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 43 | Julie | 6.42 | 0.0 | -104.43 | 2.77 | -14.37 | 2.78 | -6.24 | 1.21 | 0.0099 | 400.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 44 | Julie | 6.42 | 0.0 | -104.74 | 2.96 | -14.56 | 2.96 | -6.32 | 1.29 | 0.0124 | 290.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 45 | Julie | 6.42 | 0.0 | -103.90 | 3.90 | -13.73 | 3.91 | -5.96 | 1.70 | 0.0155 | 220.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 46 | Julie | 6.42 | 0.0 | -105.02 | 3.52 | -14.81 | 3.52 | -6.43 | 1.53 | 0.0193 | 310.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 47 | Julie | 6.42 | 0.0 | -104.64 | 3.35 | -14.40 | 3.36 | -6.25 | 1.46 | 0.0099 | 430.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 48 | Julie | 6.42 | 0.0 | -104.69 | 3.45 | -14.38 | 3.46 | -6.25 | 1.50 | 0.0193 | 160.0 | True |
| 18433 | 63 | RL_12 | G11 | 1 | 49 | Julie | 6.42 | 0.0 | -103.42 | 4.13 | -13.27 | 4.14 | -5.76 | 1.80 | 0.0242 | 170.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 19 | L | G11 | 1 | 0 | Julie | 83.46 | 0.61 | 0.0302 | 30.0 | True |
| 18434 | 19 | L | G11 | 1 | 1 | Julie | 83.72 | 0.31 | 0.0003 | 110.0 | True |
| 18434 | 19 | L | G11 | 1 | 2 | Julie | 83.73 | 0.25 | 0.0000 | 270.0 | True |
| 18434 | 19 | L | G11 | 1 | 3 | Julie | 83.72 | 0.27 | 0.0000 | 250.35 | True |
| 18434 | 19 | L | G11 | 1 | 4 | Julie | 83.84 | 0.26 | 0.0002 | 180.05 | True |
| 18434 | 19 | L | G11 | 1 | 5 | Julie | 83.83 | 0.28 | 0.0002 | 160.0 | True |
| 18434 | 19 | L | G11 | 1 | 6 | Julie | 83.72 | 0.31 | 0.0001 | 220.3 | True |
| 18434 | 19 | L | G11 | 1 | 7 | Julie | 83.79 | 0.22 | 0.0000 | 240.0 | True |
| 18434 | 19 | L | G11 | 1 | 8 | Julie | 83.79 | 0.21 | 0.0000 | 277.0 | True |
| 18434 | 19 | L | G11 | 1 | 9 | Julie | 83.73 | 0.21 | 0.0000 | 232.6 | True |
| 18434 | 19 | L | G11 | 1 | 10 | Julie | 83.91 | 0.22 | 0.0001 | 240.0 | True |
| 18434 | 19 | L | G11 | 1 | 11 | Julie | 83.78 | 0.28 | 0.0007 | 140.0 | True |
| 18434 | 19 | L | G11 | 1 | 12 | Julie | 83.75 | 0.25 | 0.0000 | 239.25 | True |
| 18434 | 19 | L | G11 | 1 | 13 | Julie | 83.78 | 0.26 | 0.0000 | 220.0 | True |
| 18434 | 19 | L | G11 | 1 | 14 | Julie | 83.69 | 0.16 | 0.0000 | 250.15 | True |
| 18434 | 19 | L | G11 | 1 | 15 | Julie | 83.87 | 0.24 | 0.0000 | 294.45 | True |
| 18434 | 19 | L | G11 | 1 | 16 | Julie | 83.78 | 0.20 | 0.0000 | 220.0 | True |
| 18434 | 19 | L | G11 | 1 | 17 | Julie | 83.73 | 0.29 | 0.0001 | 220.1 | True |
| 18434 | 19 | L | G11 | 1 | 18 | Julie | 83.75 | 0.20 | 0.0000 | 254.65 | True |
| 18434 | 19 | L | G11 | 1 | 19 | Julie | 83.71 | 0.21 | 0.0000 | 282.8 | True |
| 18434 | 19 | L | G11 | 1 | 20 | Julie | 83.79 | 0.21 | 0.0002 | 160.4 | True |
| 18434 | 19 | L | G11 | 1 | 21 | Julie | 83.80 | 0.23 | 0.0001 | 180.0 | True |
| 18434 | 19 | L | G11 | 1 | 22 | Julie | 83.86 | 0.30 | 0.0007 | 140.0 | True |
| 18434 | 19 | L | G11 | 1 | 23 | Julie | 83.67 | 0.18 | 0.0000 | 251.5 | True |
| 18434 | 19 | L | G11 | 1 | 24 | Julie | 83.88 | 0.20 | 0.0000 | 270.05 | True |
| 18434 | 19 | L | G11 | 1 | 25 | Julie | 83.74 | 0.29 | 0.0009 | 130.0 | True |
| 18434 | 19 | L | G11 | 1 | 26 | Julie | 83.74 | 0.21 | 0.0003 | 170.0 | True |
| 18434 | 19 | L | G11 | 1 | 27 | Julie | 83.90 | 0.36 | 0.0003 | 150.15 | True |
| 18434 | 19 | L | G11 | 1 | 28 | Julie | 83.86 | 0.19 | 0.0000 | 278.45 | True |
| 18434 | 19 | L | G11 | 1 | 29 | Julie | 83.76 | 0.39 | 0.0007 | 130.0 | True |
| 18434 | 19 | L | G11 | 1 | 30 | Julie | 83.88 | 0.21 | 0.0000 | 229.1 | True |
| 18434 | 19 | L | G11 | 1 | 31 | Julie | 83.73 | 0.27 | 0.0000 | 240.05 | True |
| 18434 | 19 | L | G11 | 1 | 32 | Julie | 83.80 | 0.25 | 0.0000 | 200.05 | True |
| 18434 | 19 | L | G11 | 1 | 33 | Julie | 83.83 | 0.15 | 0.0000 | 279.95 | True |
| 18434 | 19 | L | G11 | 1 | 34 | Julie | 83.83 | 0.21 | 0.0000 | 240.0 | True |
| 18434 | 19 | L | G11 | 1 | 35 | Julie | 83.81 | 0.23 | 0.0002 | 140.0 | True |
| 18434 | 19 | L | G11 | 1 | 36 | Julie | 83.87 | 0.22 | 0.0000 | 250.1 | True |
| 18434 | 19 | L | G11 | 1 | 37 | Julie | 83.91 | 0.38 | 0.0013 | 90.0 | True |
| 18434 | 19 | L | G11 | 1 | 38 | Julie | 83.72 | 0.35 | 0.0007 | 130.15 | True |
| 18434 | 19 | L | G11 | 1 | 39 | Julie | 83.83 | 0.26 | 0.0001 | 200.1 | True |
| 18434 | 19 | L | G11 | 1 | 40 | Julie | 83.79 | 0.28 | 0.0000 | 230.0 | True |
| 18434 | 19 | L | G11 | 1 | 41 | Julie | 83.72 | 0.22 | 0.0003 | 120.0 | True |
| 18434 | 19 | L | G11 | 1 | 42 | Julie | 83.89 | 0.30 | 0.0002 | 200.0 | True |
| 18434 | 19 | L | G11 | 1 | 43 | Julie | 83.64 | 0.19 | 0.0000 | 263.55 | True |
| 18434 | 19 | L | G11 | 1 | 44 | Julie | 83.76 | 0.15 | 0.0000 | 242.7 | True |
| 18434 | 19 | L | G11 | 1 | 45 | Julie | 83.75 | 0.27 | 0.0002 | 190.2 | True |
| 18434 | 19 | L | G11 | 1 | 46 | Julie | 83.80 | 0.21 | 0.0000 | 210.95 | True |
| 18434 | 19 | L | G11 | 1 | 47 | Julie | 83.83 | 0.29 | 0.0002 | 170.0 | True |
| 18434 | 19 | L | G11 | 1 | 48 | Julie | 83.89 | 0.27 | 0.0002 | 190.0 | True |
| 18434 | 19 | L | G11 | 1 | 49 | Julie | 83.73 | 0.21 | 0.0000 | 240.1 | True |