| 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 | 54 | RL_12 | G5 | 1 | 0 | Jason | 6.42 | 0.0 | 194.49 | 7.20 | -4.04 | 7.22 | -1.75 | 3.14 | 0.0242 | 300.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 1 | Jason | 6.42 | 0.0 | 192.07 | 5.71 | -6.61 | 5.75 | -2.87 | 2.50 | 0.0242 | 310.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 2 | Jason | 6.42 | 0.0 | 194.65 | 7.18 | -3.83 | 7.18 | -1.66 | 3.12 | 0.0378 | 270.1 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 3 | Jason | 6.42 | 0.0 | 195.10 | 7.35 | -3.39 | 7.36 | -1.47 | 3.20 | 0.0472 | 200.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 4 | Jason | 6.42 | 0.0 | 193.04 | 7.07 | -5.47 | 7.08 | -2.38 | 3.08 | 0.0302 | 210.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 5 | Jason | 6.42 | 0.0 | 194.48 | 4.54 | -4.12 | 4.57 | -1.79 | 1.98 | 0.0302 | 190.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 6 | Jason | 6.42 | 0.0 | 194.40 | 5.70 | -4.20 | 5.71 | -1.82 | 2.48 | 0.0193 | 430.4 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 7 | Jason | 6.42 | 0.0 | 193.01 | 8.69 | -5.52 | 8.70 | -2.40 | 3.78 | 0.0472 | 220.1 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 8 | Jason | 6.42 | 0.0 | 192.73 | 5.31 | -5.89 | 5.32 | -2.56 | 2.31 | 0.0193 | 410.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 9 | Jason | 6.42 | 0.0 | 192.99 | 5.90 | -5.73 | 5.92 | -2.49 | 2.57 | 0.0242 | 410.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 10 | Jason | 6.42 | 0.0 | 193.61 | 5.65 | -5.01 | 5.67 | -2.18 | 2.46 | 0.0193 | 440.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 11 | Jason | 6.42 | 0.0 | 194.03 | 7.06 | -4.38 | 7.07 | -1.90 | 3.07 | 0.0193 | 320.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 12 | Jason | 6.42 | 0.0 | 191.92 | 4.53 | -6.68 | 4.55 | -2.90 | 1.97 | 0.0193 | 340.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 13 | Jason | 6.42 | 0.0 | 194.81 | 5.21 | -3.70 | 5.22 | -1.61 | 2.27 | 0.0242 | 260.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 14 | Jason | 6.42 | 0.0 | 192.11 | 5.88 | -6.54 | 5.91 | -2.84 | 2.56 | 0.0302 | 310.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 15 | Jason | 6.42 | 0.0 | 194.02 | 6.31 | -4.61 | 6.32 | -2.00 | 2.75 | 0.0242 | 500.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 16 | Jason | 6.42 | 0.0 | 193.62 | 7.93 | -4.91 | 7.94 | -2.13 | 3.45 | 0.0242 | 270.7 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 17 | Jason | 6.42 | 0.0 | 191.25 | 4.42 | -7.26 | 4.43 | -3.15 | 1.92 | 0.0124 | 410.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 18 | Jason | 6.42 | 0.0 | 195.40 | 6.78 | -3.19 | 6.80 | -1.38 | 2.95 | 0.0155 | 400.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 19 | Jason | 6.42 | 0.0 | 192.61 | 5.15 | -5.99 | 5.18 | -2.60 | 2.25 | 0.0193 | 380.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 20 | Jason | 6.42 | 0.0 | 193.88 | 7.43 | -4.57 | 7.45 | -1.98 | 3.24 | 0.0378 | 270.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 21 | Jason | 6.42 | 0.0 | 191.68 | 4.83 | -7.05 | 4.85 | -3.06 | 2.11 | 0.0193 | 350.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 22 | Jason | 6.42 | 0.0 | 192.54 | 5.16 | -5.88 | 5.18 | -2.56 | 2.25 | 0.0242 | 330.4 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 23 | Jason | 6.42 | 0.0 | 193.06 | 6.27 | -5.46 | 6.29 | -2.37 | 2.73 | 0.0378 | 230.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 24 | Jason | 6.42 | 0.0 | 192.37 | 5.90 | -6.22 | 5.91 | -2.70 | 2.57 | 0.0302 | 280.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 25 | Jason | 6.42 | 0.0 | 193.77 | 7.18 | -4.74 | 7.19 | -2.06 | 3.12 | 0.0242 | 280.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 26 | Jason | 6.42 | 0.0 | 193.41 | 8.01 | -5.16 | 8.02 | -2.24 | 3.49 | 0.0242 | 270.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 27 | Jason | 6.42 | 0.0 | 191.55 | 6.44 | -6.91 | 6.45 | -3.00 | 2.80 | 0.0378 | 210.1 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 28 | Jason | 6.42 | 0.0 | 194.98 | 7.59 | -3.49 | 7.61 | -1.52 | 3.30 | 0.0378 | 240.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 29 | Jason | 6.42 | 0.0 | 194.46 | 5.91 | -4.08 | 5.92 | -1.77 | 2.57 | 0.0302 | 370.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 30 | Jason | 6.42 | 0.0 | 193.97 | 6.74 | -4.56 | 6.75 | -1.98 | 2.93 | 0.0242 | 270.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 31 | Jason | 6.42 | 0.0 | 194.26 | 7.25 | -4.25 | 7.26 | -1.85 | 3.15 | 0.0242 | 450.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 32 | Jason | 6.42 | 0.0 | 192.92 | 7.11 | -5.72 | 7.14 | -2.48 | 3.10 | 0.0242 | 330.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 33 | Jason | 6.42 | 0.0 | 194.23 | 7.46 | -4.27 | 7.47 | -1.85 | 3.24 | 0.0242 | 370.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 34 | Jason | 6.42 | 0.0 | 194.39 | 7.56 | -4.40 | 7.58 | -1.91 | 3.29 | 0.0302 | 340.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 35 | Jason | 6.42 | 0.0 | 195.59 | 9.81 | -2.94 | 9.82 | -1.27 | 4.26 | 0.0378 | 160.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 36 | Jason | 6.42 | 0.0 | 192.26 | 5.41 | -11.27 | 5.41 | -4.89 | 2.35 | 0.0378 | 290.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 37 | Jason | 6.42 | 0.0 | 194.25 | 6.32 | -4.35 | 6.33 | -1.89 | 2.75 | 0.0242 | 400.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 38 | Jason | 6.42 | 0.0 | 193.75 | 6.70 | -4.90 | 6.72 | -2.13 | 2.92 | 0.0378 | 220.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 39 | Jason | 6.42 | 0.0 | 192.57 | 6.85 | -6.06 | 6.87 | -2.63 | 2.98 | 0.0302 | 280.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 40 | Jason | 6.42 | 0.0 | 192.84 | 6.16 | -5.63 | 6.17 | -2.44 | 2.68 | 0.0302 | 270.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 41 | Jason | 6.42 | 0.0 | 196.40 | 9.29 | -2.18 | 9.31 | -0.95 | 4.04 | 0.0302 | 290.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 42 | Jason | 6.42 | 0.0 | 193.40 | 6.39 | -5.07 | 6.40 | -2.20 | 2.78 | 0.0302 | 350.2 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 43 | Jason | 6.42 | 0.0 | 194.40 | 6.91 | -4.20 | 6.92 | -1.82 | 3.00 | 0.0242 | 300.35 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 44 | Jason | 6.42 | 0.0 | 192.46 | 4.13 | -6.24 | 4.15 | -2.71 | 1.80 | 0.0155 | 370.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 45 | Jason | 6.42 | 0.0 | 193.21 | 4.81 | -5.37 | 4.83 | -2.33 | 2.10 | 0.0155 | 400.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 46 | Jason | 6.42 | 0.0 | 193.29 | 5.82 | -5.23 | 5.83 | -2.27 | 2.53 | 0.0193 | 540.2 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 47 | Jason | 6.42 | 0.0 | 193.98 | 6.22 | -4.50 | 6.24 | -1.95 | 2.71 | 0.0472 | 180.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 48 | Jason | 6.42 | 0.0 | 194.46 | 6.79 | -4.20 | 6.81 | -1.82 | 2.96 | 0.0193 | 400.0 | True |
| 18433 | 54 | RL_12 | G5 | 1 | 49 | Jason | 6.42 | 0.0 | 195.27 | 6.98 | -3.27 | 7.00 | -1.42 | 3.04 | 0.0378 | 230.0 | 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 |