| 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 | 32 | RL_10 | G5 | 1 | 0 | Jason | 6.42 | 0.0 | 193.92 | 5.02 | -4.61 | 5.04 | -2.00 | 2.19 | 0.0242 | 290.1 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 1 | Jason | 6.42 | 0.0 | 194.92 | 6.49 | -3.76 | 6.53 | -1.63 | 2.84 | 0.0242 | 530.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 2 | Jason | 6.42 | 0.0 | 193.36 | 7.95 | -5.13 | 7.96 | -2.23 | 3.46 | 0.0378 | 280.1 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 3 | Jason | 6.42 | 0.0 | 193.36 | 5.81 | -5.14 | 5.82 | -2.23 | 2.53 | 0.0302 | 290.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 4 | Jason | 6.42 | 0.0 | 196.23 | 7.13 | -2.28 | 7.14 | -0.99 | 3.10 | 0.0242 | 300.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 5 | Jason | 6.42 | 0.0 | 194.82 | 7.12 | -3.79 | 7.14 | -1.65 | 3.10 | 0.0242 | 410.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 6 | Jason | 6.42 | 0.0 | 196.72 | 7.20 | -1.87 | 7.21 | -0.81 | 3.13 | 0.0302 | 400.2 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 7 | Jason | 6.42 | 0.0 | 194.87 | 6.12 | -3.66 | 6.14 | -1.59 | 2.67 | 0.0302 | 290.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 8 | Jason | 6.42 | 0.0 | 193.40 | 5.50 | -5.22 | 5.51 | -2.27 | 2.39 | 0.0242 | 370.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 9 | Jason | 6.42 | 0.0 | 194.87 | 5.40 | -3.85 | 5.42 | -1.67 | 2.35 | 0.0242 | 310.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 10 | Jason | 6.42 | 0.0 | 195.10 | 6.86 | -3.51 | 6.87 | -1.53 | 2.98 | 0.0302 | 330.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 11 | Jason | 6.42 | 0.0 | 194.03 | 5.71 | -4.38 | 5.73 | -1.90 | 2.49 | 0.0193 | 390.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 12 | Jason | 6.42 | 0.0 | 192.28 | 5.49 | -6.32 | 5.51 | -2.74 | 2.39 | 0.0242 | 410.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 13 | Jason | 6.42 | 0.0 | 194.36 | 4.98 | -4.14 | 5.00 | -1.80 | 2.17 | 0.0193 | 410.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 14 | Jason | 6.42 | 0.0 | 195.52 | 6.52 | -3.13 | 6.54 | -1.36 | 2.84 | 0.0242 | 390.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 15 | Jason | 6.42 | 0.0 | 193.90 | 6.92 | -4.73 | 6.92 | -2.06 | 3.01 | 0.0242 | 370.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 16 | Jason | 6.42 | 0.0 | 193.80 | 5.26 | -4.72 | 5.28 | -2.05 | 2.29 | 0.0242 | 370.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 17 | Jason | 6.42 | 0.0 | 195.24 | 6.01 | -3.27 | 6.02 | -1.42 | 2.61 | 0.0302 | 350.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 18 | Jason | 6.42 | 0.0 | 192.20 | 7.00 | -6.39 | 7.02 | -2.78 | 3.05 | 0.0302 | 340.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 19 | Jason | 6.42 | 0.0 | 193.25 | 5.29 | -5.35 | 5.31 | -2.32 | 2.31 | 0.0193 | 380.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 20 | Jason | 6.42 | 0.0 | 195.36 | 6.17 | -3.07 | 6.19 | -1.33 | 2.69 | 0.0302 | 280.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 21 | Jason | 6.42 | 0.0 | 195.35 | 5.45 | -3.37 | 5.47 | -1.47 | 2.37 | 0.0378 | 260.1 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 22 | Jason | 6.42 | 0.0 | 192.80 | 5.46 | -5.63 | 5.49 | -2.44 | 2.38 | 0.0242 | 360.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 23 | Jason | 6.42 | 0.0 | 195.45 | 8.53 | -3.07 | 8.54 | -1.33 | 3.71 | 0.0242 | 320.05 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 24 | Jason | 6.42 | 0.0 | 192.88 | 6.06 | -5.72 | 6.08 | -2.48 | 2.64 | 0.0302 | 240.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 25 | Jason | 6.42 | 0.0 | 194.38 | 6.56 | -4.14 | 6.58 | -1.80 | 2.86 | 0.0302 | 490.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 26 | Jason | 6.42 | 0.0 | 196.01 | 7.13 | -2.57 | 7.15 | -1.11 | 3.10 | 0.0302 | 300.1 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 27 | Jason | 6.42 | 0.0 | 194.57 | 4.72 | -3.89 | 4.73 | -1.69 | 2.06 | 0.0302 | 230.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 28 | Jason | 6.42 | 0.0 | 195.07 | 7.53 | -3.40 | 7.55 | -1.48 | 3.28 | 0.0378 | 310.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 29 | Jason | 6.42 | 0.0 | 192.69 | 6.57 | -5.85 | 6.58 | -2.54 | 2.86 | 0.0242 | 300.1 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 30 | Jason | 6.42 | 0.0 | 195.11 | 7.27 | -3.42 | 7.28 | -1.48 | 3.16 | 0.0378 | 420.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 31 | Jason | 6.42 | 0.0 | 194.59 | 6.08 | -3.92 | 6.10 | -1.70 | 2.65 | 0.0242 | 490.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 32 | Jason | 6.42 | 0.0 | 194.80 | 6.55 | -3.84 | 6.58 | -1.67 | 2.86 | 0.0242 | 280.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 33 | Jason | 6.42 | 0.0 | 195.03 | 6.23 | -3.47 | 6.24 | -1.51 | 2.71 | 0.0472 | 300.35 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 34 | Jason | 6.42 | 0.0 | 195.47 | 6.28 | -3.33 | 6.31 | -1.44 | 2.74 | 0.0242 | 280.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 35 | Jason | 6.42 | 0.0 | 194.71 | 6.72 | -3.82 | 6.73 | -1.66 | 2.92 | 0.0193 | 340.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 36 | Jason | 6.42 | 0.0 | 193.28 | 6.73 | -10.25 | 6.73 | -4.45 | 2.92 | 0.0302 | 220.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 37 | Jason | 6.42 | 0.0 | 193.94 | 6.10 | -4.66 | 6.11 | -2.02 | 2.65 | 0.0193 | 560.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 38 | Jason | 6.42 | 0.0 | 192.09 | 6.78 | -6.56 | 6.80 | -2.85 | 2.95 | 0.0472 | 150.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 39 | Jason | 6.42 | 0.0 | 192.89 | 5.00 | -5.73 | 5.02 | -2.49 | 2.18 | 0.0193 | 420.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 40 | Jason | 6.42 | 0.0 | 195.93 | 8.20 | -2.55 | 8.21 | -1.11 | 3.56 | 0.0472 | 160.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 41 | Jason | 6.42 | 0.0 | 193.27 | 5.13 | -5.30 | 5.15 | -2.30 | 2.24 | 0.0242 | 320.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 42 | Jason | 6.42 | 0.0 | 193.30 | 5.18 | -5.17 | 5.20 | -2.25 | 2.26 | 0.0242 | 370.1 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 43 | Jason | 6.42 | 0.0 | 193.09 | 5.63 | -5.51 | 5.65 | -2.39 | 2.45 | 0.0242 | 270.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 44 | Jason | 6.42 | 0.0 | 192.90 | 5.53 | -5.80 | 5.54 | -2.52 | 2.41 | 0.0378 | 230.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 45 | Jason | 6.42 | 0.0 | 194.77 | 7.21 | -3.80 | 7.22 | -1.65 | 3.13 | 0.0472 | 170.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 46 | Jason | 6.42 | 0.0 | 191.23 | 6.04 | -7.29 | 6.06 | -3.16 | 2.63 | 0.0242 | 330.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 47 | Jason | 6.42 | 0.0 | 193.57 | 4.73 | -4.91 | 4.76 | -2.13 | 2.07 | 0.0193 | 330.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 48 | Jason | 6.42 | 0.0 | 193.93 | 5.03 | -4.72 | 5.05 | -2.05 | 2.19 | 0.0242 | 360.0 | True |
| 18433 | 32 | RL_10 | G5 | 1 | 49 | Jason | 6.42 | 0.0 | 194.97 | 6.45 | -3.58 | 6.47 | -1.55 | 2.81 | 0.0242 | 350.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 10 | L | G5 | 1 | 0 | Jason | -204.94 | 0.52 | 0.0026 | 110.0 | True |
| 18434 | 10 | L | G5 | 1 | 1 | Jason | -205.10 | 0.72 | 0.0099 | 70.25 | True |
| 18434 | 10 | L | G5 | 1 | 2 | Jason | -204.90 | 0.36 | 0.0009 | 200.05 | True |
| 18434 | 10 | L | G5 | 1 | 3 | Jason | -204.91 | 0.39 | 0.0007 | 210.0 | True |
| 18434 | 10 | L | G5 | 1 | 4 | Jason | -204.92 | 0.39 | 0.0011 | 150.0 | True |
| 18434 | 10 | L | G5 | 1 | 5 | Jason | -205.02 | 0.49 | 0.0021 | 120.0 | True |
| 18434 | 10 | L | G5 | 1 | 6 | Jason | -205.01 | 0.29 | 0.0003 | 200.0 | True |
| 18434 | 10 | L | G5 | 1 | 7 | Jason | -204.95 | 0.47 | 0.0005 | 210.0 | True |
| 18434 | 10 | L | G5 | 1 | 8 | Jason | -205.04 | 0.31 | 0.0011 | 160.05 | True |
| 18434 | 10 | L | G5 | 1 | 9 | Jason | -205.14 | 0.45 | 0.0011 | 170.2 | True |
| 18434 | 10 | L | G5 | 1 | 10 | Jason | -205.03 | 0.47 | 0.0017 | 170.0 | True |
| 18434 | 10 | L | G5 | 1 | 11 | Jason | -204.83 | 0.46 | 0.0021 | 180.0 | True |
| 18434 | 10 | L | G5 | 1 | 12 | Jason | -205.02 | 0.44 | 0.0011 | 160.0 | True |
| 18434 | 10 | L | G5 | 1 | 13 | Jason | -204.92 | 0.40 | 0.0011 | 170.15 | True |
| 18434 | 10 | L | G5 | 1 | 14 | Jason | -205.06 | 0.56 | 0.0009 | 170.0 | True |
| 18434 | 10 | L | G5 | 1 | 15 | Jason | -205.05 | 0.33 | 0.0001 | 280.0 | True |
| 18434 | 10 | L | G5 | 1 | 16 | Jason | -204.94 | 0.39 | 0.0007 | 180.0 | True |
| 18434 | 10 | L | G5 | 1 | 17 | Jason | -204.93 | 0.33 | 0.0001 | 290.0 | True |
| 18434 | 10 | L | G5 | 1 | 18 | Jason | -205.00 | 0.50 | 0.0032 | 110.0 | True |
| 18434 | 10 | L | G5 | 1 | 19 | Jason | -205.01 | 0.50 | 0.0009 | 210.0 | True |
| 18434 | 10 | L | G5 | 1 | 20 | Jason | -204.86 | 0.50 | 0.0009 | 170.0 | True |
| 18434 | 10 | L | G5 | 1 | 21 | Jason | -205.14 | 0.48 | 0.0004 | 210.0 | True |
| 18434 | 10 | L | G5 | 1 | 22 | Jason | -204.84 | 0.54 | 0.0013 | 160.0 | True |
| 18434 | 10 | L | G5 | 1 | 23 | Jason | -204.94 | 0.52 | 0.0009 | 190.0 | True |
| 18434 | 10 | L | G5 | 1 | 24 | Jason | -205.01 | 0.39 | 0.0003 | 190.0 | True |
| 18434 | 10 | L | G5 | 1 | 25 | Jason | -204.93 | 0.51 | 0.0011 | 180.0 | True |
| 18434 | 10 | L | G5 | 1 | 26 | Jason | -204.99 | 0.46 | 0.0013 | 170.05 | True |
| 18434 | 10 | L | G5 | 1 | 27 | Jason | -204.87 | 0.39 | 0.0005 | 220.0 | True |
| 18434 | 10 | L | G5 | 1 | 28 | Jason | -204.89 | 0.53 | 0.0013 | 180.0 | True |
| 18434 | 10 | L | G5 | 1 | 29 | Jason | -204.96 | 0.34 | 0.0002 | 290.15 | True |
| 18434 | 10 | L | G5 | 1 | 30 | Jason | -204.94 | 0.37 | 0.0003 | 190.0 | True |
| 18434 | 10 | L | G5 | 1 | 31 | Jason | -204.93 | 0.40 | 0.0007 | 220.0 | True |
| 18434 | 10 | L | G5 | 1 | 32 | Jason | -205.06 | 0.60 | 0.0026 | 130.0 | True |
| 18434 | 10 | L | G5 | 1 | 33 | Jason | -204.91 | 0.42 | 0.0009 | 180.0 | True |
| 18434 | 10 | L | G5 | 1 | 34 | Jason | -205.21 | 0.53 | 0.0017 | 150.0 | True |
| 18434 | 10 | L | G5 | 1 | 35 | Jason | -204.95 | 0.36 | 0.0017 | 150.0 | True |
| 18434 | 10 | L | G5 | 1 | 36 | Jason | -209.94 | 0.00 | 0.4398 | 10.0 | True |
| 18434 | 10 | L | G5 | 1 | 37 | Jason | -205.02 | 0.37 | 0.0005 | 180.0 | True |
| 18434 | 10 | L | G5 | 1 | 38 | Jason | -205.06 | 0.53 | 0.0021 | 140.0 | True |
| 18434 | 10 | L | G5 | 1 | 39 | Jason | -205.04 | 0.48 | 0.0011 | 170.0 | True |
| 18434 | 10 | L | G5 | 1 | 40 | Jason | -204.89 | 0.36 | 0.0007 | 220.0 | True |
| 18434 | 10 | L | G5 | 1 | 41 | Jason | -204.99 | 0.53 | 0.0017 | 180.0 | True |
| 18434 | 10 | L | G5 | 1 | 42 | Jason | -204.89 | 0.42 | 0.0007 | 190.0 | True |
| 18434 | 10 | L | G5 | 1 | 43 | Jason | -205.02 | 0.43 | 0.0005 | 200.0 | True |
| 18434 | 10 | L | G5 | 1 | 44 | Jason | -205.11 | 0.39 | 0.0004 | 210.0 | True |
| 18434 | 10 | L | G5 | 1 | 45 | Jason | -204.99 | 0.39 | 0.0001 | 250.0 | True |
| 18434 | 10 | L | G5 | 1 | 46 | Jason | -204.93 | 0.38 | 0.0005 | 180.0 | True |
| 18434 | 10 | L | G5 | 1 | 47 | Jason | -204.90 | 0.48 | 0.0017 | 150.0 | True |
| 18434 | 10 | L | G5 | 1 | 48 | Jason | -205.07 | 0.42 | 0.0013 | 140.0 | True |
| 18434 | 10 | L | G5 | 1 | 49 | Jason | -204.96 | 0.49 | 0.0032 | 130.4 | True |