| 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 | 14 | RL_8 | G7 | 2 | 0 | Steven | 6.42 | 0.0 | -30.50 | 1.82 | -15.71 | 1.83 | -6.82 | 0.80 | 0.0099 | 430.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 1 | Steven | 6.42 | 0.0 | -30.05 | 1.63 | -15.22 | 1.65 | -6.61 | 0.72 | 0.0079 | 420.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 2 | Steven | 6.42 | 0.0 | -30.82 | 2.23 | -16.01 | 2.26 | -6.95 | 0.98 | 0.0124 | 410.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 3 | Steven | 6.42 | 0.0 | -30.30 | 1.74 | -15.52 | 1.76 | -6.74 | 0.76 | 0.0063 | 420.4 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 4 | Steven | 6.42 | 0.0 | -30.21 | 1.65 | -15.40 | 1.67 | -6.69 | 0.73 | 0.0079 | 360.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 5 | Steven | 6.42 | 0.0 | -30.24 | 1.99 | -15.44 | 2.00 | -6.70 | 0.87 | 0.0099 | 340.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 6 | Steven | 6.42 | 0.0 | -30.07 | 1.75 | -15.27 | 1.76 | -6.63 | 0.76 | 0.0063 | 370.25 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 7 | Steven | 6.42 | 0.0 | -30.30 | 1.98 | -15.44 | 2.03 | -6.70 | 0.88 | 0.0124 | 280.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 8 | Steven | 6.42 | 0.0 | -30.47 | 2.32 | -15.65 | 2.33 | -6.80 | 1.01 | 0.0124 | 210.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 9 | Steven | 6.42 | 0.0 | -29.86 | 1.72 | -15.15 | 1.74 | -6.58 | 0.75 | 0.0079 | 340.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 10 | Steven | 6.42 | 0.0 | -30.73 | 2.03 | -15.95 | 2.05 | -6.93 | 0.89 | 0.0063 | 380.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 11 | Steven | 6.42 | 0.0 | -30.31 | 1.53 | -15.54 | 1.54 | -6.75 | 0.67 | 0.0041 | 430.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 12 | Steven | 6.42 | 0.0 | -29.79 | 2.04 | -14.99 | 2.05 | -6.51 | 0.89 | 0.0155 | 160.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 13 | Steven | 6.42 | 0.0 | -30.64 | 1.70 | -15.83 | 1.77 | -6.88 | 0.77 | 0.0079 | 370.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 14 | Steven | 6.42 | 0.0 | -30.58 | 1.99 | -15.72 | 2.01 | -6.83 | 0.87 | 0.0099 | 290.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 15 | Steven | 6.42 | 0.0 | -30.34 | 1.60 | -15.62 | 1.62 | -6.79 | 0.70 | 0.0063 | 420.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 16 | Steven | 6.42 | 0.0 | -30.13 | 1.80 | -15.42 | 1.84 | -6.70 | 0.80 | 0.0079 | 390.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 17 | Steven | 6.42 | 0.0 | -30.39 | 1.68 | -15.58 | 1.86 | -6.77 | 0.81 | 0.0063 | 380.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 18 | Steven | 6.42 | 0.0 | -30.40 | 2.19 | -15.60 | 2.21 | -6.77 | 0.96 | 0.0063 | 350.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 19 | Steven | 6.42 | 0.0 | -30.57 | 2.45 | -15.68 | 2.46 | -6.81 | 1.07 | 0.0079 | 370.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 20 | Steven | 6.42 | 0.0 | -29.95 | 1.82 | -15.12 | 1.86 | -6.56 | 0.81 | 0.0099 | 230.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 21 | Steven | 6.42 | 0.0 | -30.31 | 1.89 | -15.22 | 2.40 | -6.61 | 1.04 | 0.0051 | 340.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 22 | Steven | 6.42 | 0.0 | -29.85 | 1.97 | -15.00 | 2.00 | -6.51 | 0.87 | 0.0099 | 270.2 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 23 | Steven | 6.42 | 0.0 | -31.80 | 3.54 | -17.03 | 3.55 | -7.40 | 1.54 | 0.0124 | 350.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 24 | Steven | 6.42 | 0.0 | -30.23 | 1.66 | -15.45 | 1.68 | -6.71 | 0.73 | 0.0099 | 330.15 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 25 | Steven | 6.42 | 0.0 | -29.96 | 2.06 | -15.19 | 2.09 | -6.60 | 0.91 | 0.0079 | 390.1 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 26 | Steven | 6.42 | 0.0 | -30.41 | 1.78 | -15.59 | 1.80 | -6.77 | 0.78 | 0.0079 | 340.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 27 | Steven | 6.42 | 0.0 | -30.25 | 1.89 | -15.54 | 1.90 | -6.75 | 0.83 | 0.0099 | 350.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 28 | Steven | 6.42 | 0.0 | -30.47 | 1.93 | -15.74 | 1.96 | -6.84 | 0.85 | 0.0079 | 360.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 29 | Steven | 6.42 | 0.0 | -30.22 | 1.70 | -15.34 | 1.73 | -6.66 | 0.75 | 0.0051 | 370.2 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 30 | Steven | 6.42 | 0.0 | -30.04 | 2.19 | -15.17 | 2.21 | -6.59 | 0.96 | 0.0079 | 370.1 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 31 | Steven | 6.42 | 0.0 | -30.84 | 2.19 | -16.14 | 2.24 | -7.01 | 0.97 | 0.0124 | 210.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 32 | Steven | 6.42 | 0.0 | -29.99 | 1.93 | -15.18 | 1.95 | -6.59 | 0.84 | 0.0063 | 300.1 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 33 | Steven | 6.42 | 0.0 | -30.26 | 2.31 | -15.53 | 2.32 | -6.74 | 1.01 | 0.0124 | 200.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 34 | Steven | 6.42 | 0.0 | -30.29 | 2.10 | -15.56 | 2.12 | -6.76 | 0.92 | 0.0099 | 270.05 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 35 | Steven | 6.42 | 0.0 | -29.90 | 1.98 | -15.15 | 2.00 | -6.58 | 0.87 | 0.0079 | 280.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 36 | Steven | 6.42 | 0.0 | -30.58 | 2.28 | -15.86 | 2.28 | -6.89 | 0.99 | 0.0124 | 270.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 37 | Steven | 6.42 | 0.0 | -30.90 | 2.18 | -16.14 | 2.19 | -7.01 | 0.95 | 0.0124 | 300.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 38 | Steven | 6.42 | 0.0 | -30.22 | 2.19 | -15.34 | 2.20 | -6.66 | 0.96 | 0.0124 | 220.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 39 | Steven | 6.42 | 0.0 | -30.42 | 1.61 | -15.76 | 1.63 | -6.84 | 0.71 | 0.0079 | 310.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 40 | Steven | 6.42 | 0.0 | -30.22 | 1.67 | -15.44 | 1.68 | -6.70 | 0.73 | 0.0063 | 290.2 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 41 | Steven | 6.42 | 0.0 | -30.31 | 1.63 | -15.57 | 1.65 | -6.76 | 0.72 | 0.0051 | 600.1 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 42 | Steven | 6.42 | 0.0 | -29.97 | 2.30 | -15.23 | 2.32 | -6.61 | 1.01 | 0.0193 | 140.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 43 | Steven | 6.42 | 0.0 | -30.86 | 1.90 | -16.09 | 1.92 | -6.99 | 0.83 | 0.0079 | 360.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 44 | Steven | 6.42 | 0.0 | -30.54 | 1.89 | -15.78 | 1.90 | -6.85 | 0.83 | 0.0079 | 230.1 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 45 | Steven | 6.42 | 0.0 | -30.56 | 1.94 | -15.79 | 1.95 | -6.86 | 0.85 | 0.0099 | 290.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 46 | Steven | 6.42 | 0.0 | -31.02 | 1.95 | -16.25 | 1.96 | -7.06 | 0.85 | 0.0079 | 300.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 47 | Steven | 6.42 | 0.0 | -30.44 | 1.94 | -15.69 | 1.96 | -6.81 | 0.85 | 0.0063 | 370.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 48 | Steven | 6.42 | 0.0 | -30.69 | 2.07 | -15.97 | 2.09 | -6.94 | 0.91 | 0.0079 | 320.0 | True |
| 18433 | 14 | RL_8 | G7 | 2 | 49 | Steven | 6.42 | 0.0 | -30.61 | 1.99 | -15.85 | 2.02 | -6.89 | 0.88 | 0.0099 | 420.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 14 | L | G7 | 2 | 0 | Steven | 8.38 | 0.18 | 0.0000 | 316.75 | True |
| 18434 | 14 | L | G7 | 2 | 1 | Steven | 8.42 | 0.27 | 0.0003 | 160.0 | True |
| 18434 | 14 | L | G7 | 2 | 2 | Steven | 8.40 | 0.33 | 0.0007 | 150.1 | True |
| 18434 | 14 | L | G7 | 2 | 3 | Steven | 8.37 | 0.24 | 0.0004 | 140.15 | True |
| 18434 | 14 | L | G7 | 2 | 4 | Steven | 8.40 | 0.26 | 0.0001 | 180.0 | True |
| 18434 | 14 | L | G7 | 2 | 5 | Steven | 8.39 | 0.22 | 0.0000 | 245.35 | True |
| 18434 | 14 | L | G7 | 2 | 6 | Steven | 8.39 | 0.19 | 0.0000 | 236.05 | True |
| 18434 | 14 | L | G7 | 2 | 7 | Steven | 8.45 | 0.42 | 0.0032 | 100.0 | True |
| 18434 | 14 | L | G7 | 2 | 8 | Steven | 8.40 | 0.21 | 0.0000 | 259.4 | True |
| 18434 | 14 | L | G7 | 2 | 9 | Steven | 8.30 | 0.22 | 0.0000 | 200.1 | True |
| 18434 | 14 | L | G7 | 2 | 10 | Steven | 8.36 | 0.24 | 0.0000 | 270.0 | True |
| 18434 | 14 | L | G7 | 2 | 11 | Steven | 8.36 | 0.21 | 0.0001 | 180.25 | True |
| 18434 | 14 | L | G7 | 2 | 12 | Steven | 8.38 | 0.22 | 0.0000 | 263.45 | True |
| 18434 | 14 | L | G7 | 2 | 13 | Steven | 8.39 | 0.48 | 0.0922 | 20.0 | False |
| 18434 | 14 | L | G7 | 2 | 14 | Steven | 8.45 | 0.23 | 0.0000 | 250.0 | True |
| 18434 | 14 | L | G7 | 2 | 15 | Steven | 8.30 | 0.22 | 0.0000 | 291.25 | True |
| 18434 | 14 | L | G7 | 2 | 16 | Steven | 8.29 | 0.37 | 0.0005 | 130.0 | True |
| 18434 | 14 | L | G7 | 2 | 17 | Steven | 8.39 | 0.80 | 0.0000 | 250.1 | True |
| 18434 | 14 | L | G7 | 2 | 18 | Steven | 8.38 | 0.29 | 0.0013 | 100.0 | True |
| 18434 | 14 | L | G7 | 2 | 19 | Steven | 8.47 | 0.26 | 0.0000 | 230.0 | True |
| 18434 | 14 | L | G7 | 2 | 20 | Steven | 8.42 | 0.38 | 0.0007 | 110.0 | True |
| 18434 | 14 | L | G7 | 2 | 21 | Steven | 8.67 | 1.48 | 0.0000 | 210.0 | True |
| 18434 | 14 | L | G7 | 2 | 22 | Steven | 8.43 | 0.38 | 0.0003 | 150.15 | True |
| 18434 | 14 | L | G7 | 2 | 23 | Steven | 8.35 | 0.24 | 0.0002 | 160.1 | True |
| 18434 | 14 | L | G7 | 2 | 24 | Steven | 8.36 | 0.26 | 0.0001 | 220.0 | True |
| 18434 | 14 | L | G7 | 2 | 25 | Steven | 8.35 | 0.38 | 0.0005 | 150.0 | True |
| 18434 | 14 | L | G7 | 2 | 26 | Steven | 8.40 | 0.29 | 0.0001 | 200.0 | True |
| 18434 | 14 | L | G7 | 2 | 27 | Steven | 8.30 | 0.24 | 0.0002 | 190.0 | True |
| 18434 | 14 | L | G7 | 2 | 28 | Steven | 8.32 | 0.32 | 0.0001 | 190.0 | True |
| 18434 | 14 | L | G7 | 2 | 29 | Steven | 8.46 | 0.33 | 0.0002 | 180.0 | True |
| 18434 | 14 | L | G7 | 2 | 30 | Steven | 8.46 | 0.25 | 0.0000 | 240.1 | True |
| 18434 | 14 | L | G7 | 2 | 31 | Steven | 8.29 | 0.45 | 0.0017 | 100.0 | True |
| 18434 | 14 | L | G7 | 2 | 32 | Steven | 8.39 | 0.21 | 0.0000 | 210.0 | True |
| 18434 | 14 | L | G7 | 2 | 33 | Steven | 8.32 | 0.28 | 0.0002 | 170.15 | True |
| 18434 | 14 | L | G7 | 2 | 34 | Steven | 8.32 | 0.24 | 0.0001 | 230.0 | True |
| 18434 | 14 | L | G7 | 2 | 35 | Steven | 8.34 | 0.30 | 0.0000 | 220.0 | True |
| 18434 | 14 | L | G7 | 2 | 36 | Steven | 8.31 | 0.18 | 0.0000 | 230.0 | True |
| 18434 | 14 | L | G7 | 2 | 37 | Steven | 8.34 | 0.21 | 0.0000 | 279.65 | True |
| 18434 | 14 | L | G7 | 2 | 38 | Steven | 8.47 | 0.24 | 0.0000 | 180.0 | True |
| 18434 | 14 | L | G7 | 2 | 39 | Steven | 8.24 | 0.30 | 0.0001 | 200.1 | True |
| 18434 | 14 | L | G7 | 2 | 40 | Steven | 8.36 | 0.22 | 0.0001 | 180.25 | True |
| 18434 | 14 | L | G7 | 2 | 41 | Steven | 8.32 | 0.26 | 0.0001 | 220.15 | True |
| 18434 | 14 | L | G7 | 2 | 42 | Steven | 8.33 | 0.28 | 0.0001 | 210.0 | True |
| 18434 | 14 | L | G7 | 2 | 43 | Steven | 8.35 | 0.26 | 0.0000 | 240.55 | True |
| 18434 | 14 | L | G7 | 2 | 44 | Steven | 8.35 | 0.21 | 0.0000 | 210.0 | True |
| 18434 | 14 | L | G7 | 2 | 45 | Steven | 8.35 | 0.18 | 0.0000 | 249.85 | True |
| 18434 | 14 | L | G7 | 2 | 46 | Steven | 8.36 | 0.23 | 0.0000 | 359.7 | True |
| 18434 | 14 | L | G7 | 2 | 47 | Steven | 8.33 | 0.24 | 0.0000 | 230.0 | True |
| 18434 | 14 | L | G7 | 2 | 48 | Steven | 8.30 | 0.24 | 0.0001 | 180.0 | True |
| 18434 | 14 | L | G7 | 2 | 49 | Steven | 8.34 | 0.31 | 0.0007 | 130.0 | True |