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 |
57 |
RL_12 |
G7 |
1 |
0 |
Steven |
6.42 |
0.0 |
-15.61 |
2.22 |
-12.72 |
2.22 |
-5.52 |
0.97 |
0.0079 |
280.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
1 |
Steven |
6.42 |
0.0 |
-14.86 |
1.43 |
-12.08 |
1.44 |
-5.24 |
0.63 |
0.0021 |
470.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
2 |
Steven |
6.42 |
0.0 |
-14.69 |
1.61 |
-11.96 |
1.62 |
-5.19 |
0.70 |
0.0041 |
550.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
3 |
Steven |
6.42 |
0.0 |
-14.36 |
2.79 |
-11.56 |
2.80 |
-5.02 |
1.21 |
0.0063 |
360.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
4 |
Steven |
6.42 |
0.0 |
-14.93 |
2.52 |
-12.07 |
2.52 |
-5.24 |
1.10 |
0.0051 |
220.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
5 |
Steven |
6.42 |
0.0 |
-14.37 |
2.69 |
-11.56 |
2.69 |
-5.02 |
1.17 |
0.0099 |
280.3 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
6 |
Steven |
6.42 |
0.0 |
-13.65 |
3.34 |
-10.86 |
3.35 |
-4.72 |
1.45 |
0.0124 |
300.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
7 |
Steven |
6.42 |
0.0 |
-15.44 |
1.83 |
-12.74 |
1.84 |
-5.53 |
0.80 |
0.0032 |
400.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
8 |
Steven |
6.42 |
0.0 |
-14.61 |
2.07 |
-11.87 |
2.08 |
-5.16 |
0.90 |
0.0079 |
280.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
9 |
Steven |
6.42 |
0.0 |
-15.63 |
1.92 |
-12.76 |
1.93 |
-5.54 |
0.84 |
0.0079 |
300.3 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
10 |
Steven |
6.42 |
0.0 |
-14.63 |
3.07 |
-11.90 |
3.08 |
-5.17 |
1.34 |
0.0079 |
180.3 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
11 |
Steven |
6.42 |
0.0 |
-15.74 |
1.92 |
-13.02 |
1.92 |
-5.65 |
0.84 |
0.0099 |
280.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
12 |
Steven |
6.42 |
0.0 |
-15.25 |
2.01 |
-12.41 |
2.01 |
-5.39 |
0.87 |
0.0063 |
460.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
13 |
Steven |
6.42 |
0.0 |
-15.20 |
1.80 |
-12.45 |
1.81 |
-5.41 |
0.78 |
0.0079 |
310.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
14 |
Steven |
6.42 |
0.0 |
-14.69 |
1.56 |
-11.83 |
1.57 |
-5.14 |
0.68 |
0.0063 |
460.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
15 |
Steven |
6.42 |
0.0 |
-15.72 |
2.37 |
-12.94 |
2.38 |
-5.62 |
1.03 |
0.0079 |
400.2 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
16 |
Steven |
6.42 |
0.0 |
-15.26 |
2.51 |
-12.48 |
2.52 |
-5.42 |
1.09 |
0.0124 |
240.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
17 |
Steven |
6.42 |
0.0 |
-14.22 |
3.20 |
-11.54 |
3.21 |
-5.01 |
1.40 |
0.0063 |
270.1 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
18 |
Steven |
6.42 |
0.0 |
-15.46 |
2.29 |
-12.64 |
2.29 |
-5.49 |
1.00 |
0.0041 |
340.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
19 |
Steven |
6.42 |
0.0 |
-15.62 |
1.82 |
-12.84 |
1.83 |
-5.58 |
0.80 |
0.0041 |
400.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
20 |
Steven |
6.42 |
0.0 |
-14.39 |
2.53 |
-11.59 |
2.54 |
-5.03 |
1.10 |
0.0063 |
520.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
21 |
Steven |
6.42 |
0.0 |
-15.68 |
2.22 |
-12.93 |
2.23 |
-5.61 |
0.97 |
0.0063 |
410.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
22 |
Steven |
6.42 |
0.0 |
-14.75 |
1.80 |
-12.00 |
1.81 |
-5.21 |
0.79 |
0.0051 |
410.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
23 |
Steven |
6.42 |
0.0 |
-15.33 |
2.00 |
-12.59 |
2.01 |
-5.47 |
0.87 |
0.0079 |
270.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
24 |
Steven |
6.42 |
0.0 |
-14.26 |
2.23 |
-11.42 |
2.24 |
-4.96 |
0.97 |
0.0079 |
430.1 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
25 |
Steven |
6.42 |
0.0 |
-14.80 |
1.64 |
-11.97 |
1.65 |
-5.20 |
0.72 |
0.0041 |
330.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
26 |
Steven |
6.42 |
0.0 |
-15.21 |
1.72 |
-12.31 |
1.75 |
-5.35 |
0.76 |
0.0051 |
450.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
27 |
Steven |
6.42 |
0.0 |
-14.96 |
2.22 |
-12.25 |
2.23 |
-5.32 |
0.97 |
0.0063 |
290.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
28 |
Steven |
6.42 |
0.0 |
-15.27 |
1.75 |
-12.47 |
1.77 |
-5.42 |
0.77 |
0.0063 |
470.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
29 |
Steven |
6.42 |
0.0 |
-14.49 |
2.81 |
-11.75 |
2.81 |
-5.10 |
1.22 |
0.0051 |
360.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
30 |
Steven |
6.42 |
0.0 |
-13.72 |
6.04 |
-11.01 |
6.04 |
-4.78 |
2.62 |
0.0378 |
90.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
31 |
Steven |
6.42 |
0.0 |
-15.21 |
1.87 |
-12.48 |
1.87 |
-5.42 |
0.81 |
0.0051 |
300.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
32 |
Steven |
6.42 |
0.0 |
-14.47 |
2.00 |
-11.71 |
2.00 |
-5.09 |
0.87 |
0.0063 |
390.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
33 |
Steven |
6.42 |
0.0 |
-15.15 |
1.89 |
-12.37 |
1.90 |
-5.37 |
0.82 |
0.0063 |
290.4 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
34 |
Steven |
6.42 |
0.0 |
-14.60 |
2.30 |
-11.74 |
2.30 |
-5.10 |
1.00 |
0.0124 |
350.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
35 |
Steven |
6.42 |
0.0 |
-14.36 |
1.94 |
-11.50 |
1.95 |
-5.00 |
0.85 |
0.0063 |
370.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
36 |
Steven |
6.42 |
0.0 |
-14.79 |
1.86 |
-12.01 |
1.86 |
-5.22 |
0.81 |
0.0063 |
360.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
37 |
Steven |
6.42 |
0.0 |
-14.77 |
2.44 |
-11.97 |
2.44 |
-5.20 |
1.06 |
0.0041 |
380.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
38 |
Steven |
6.42 |
0.0 |
-14.82 |
2.20 |
-12.05 |
2.20 |
-5.23 |
0.96 |
0.0051 |
390.3 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
39 |
Steven |
6.42 |
0.0 |
-15.20 |
1.94 |
-12.45 |
1.95 |
-5.41 |
0.85 |
0.0041 |
300.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
40 |
Steven |
6.42 |
0.0 |
-15.19 |
1.55 |
-12.36 |
1.55 |
-5.37 |
0.67 |
0.0041 |
470.2 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
41 |
Steven |
6.42 |
0.0 |
-14.99 |
1.94 |
-12.23 |
1.95 |
-5.31 |
0.85 |
0.0063 |
440.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
42 |
Steven |
6.42 |
0.0 |
-14.67 |
2.50 |
-11.99 |
2.51 |
-5.21 |
1.09 |
0.0099 |
290.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
43 |
Steven |
6.42 |
0.0 |
-14.71 |
1.85 |
-11.96 |
1.85 |
-5.20 |
0.80 |
0.0063 |
270.1 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
44 |
Steven |
6.42 |
0.0 |
-14.37 |
2.52 |
-11.65 |
2.52 |
-5.06 |
1.10 |
0.0099 |
280.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
45 |
Steven |
6.42 |
0.0 |
-14.44 |
2.12 |
-11.65 |
2.13 |
-5.06 |
0.92 |
0.0063 |
290.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
46 |
Steven |
6.42 |
0.0 |
-14.61 |
2.26 |
-11.83 |
2.26 |
-5.14 |
0.98 |
0.0124 |
330.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
47 |
Steven |
6.42 |
0.0 |
-14.72 |
2.19 |
-11.97 |
2.20 |
-5.20 |
0.95 |
0.0124 |
410.0 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
48 |
Steven |
6.42 |
0.0 |
-15.05 |
2.45 |
-12.15 |
2.46 |
-5.28 |
1.07 |
0.0079 |
250.25 |
True |
18433 |
57 |
RL_12 |
G7 |
1 |
49 |
Steven |
6.42 |
0.0 |
-15.25 |
2.01 |
-12.46 |
2.02 |
-5.41 |
0.88 |
0.0079 |
330.0 |
True |
Project |
RUN |
System |
Guest |
Microstate |
CLONE |
Person |
dG2 (kT) |
dG2 sigma (kT) |
L WL-increment |
ns of L simulation |
Included |
18434 |
13 |
L |
G7 |
1 |
0 |
Steven |
-3.53 |
0.17 |
0.0000 |
169.15 |
True |
18434 |
13 |
L |
G7 |
1 |
1 |
Steven |
-3.63 |
0.18 |
0.0002 |
140.3 |
True |
18434 |
13 |
L |
G7 |
1 |
2 |
Steven |
-3.69 |
0.16 |
0.0002 |
120.0 |
True |
18434 |
13 |
L |
G7 |
1 |
3 |
Steven |
-3.61 |
0.14 |
0.0000 |
217.5 |
True |
18434 |
13 |
L |
G7 |
1 |
4 |
Steven |
-3.55 |
0.12 |
0.0000 |
273.4 |
True |
18434 |
13 |
L |
G7 |
1 |
5 |
Steven |
-3.60 |
0.15 |
0.0000 |
218.45 |
True |
18434 |
13 |
L |
G7 |
1 |
6 |
Steven |
-3.63 |
0.18 |
0.0000 |
210.3 |
True |
18434 |
13 |
L |
G7 |
1 |
7 |
Steven |
-3.71 |
0.21 |
0.0000 |
170.0 |
True |
18434 |
13 |
L |
G7 |
1 |
8 |
Steven |
-3.68 |
0.19 |
0.0000 |
190.25 |
True |
18434 |
13 |
L |
G7 |
1 |
9 |
Steven |
-3.55 |
0.18 |
0.0000 |
212.65 |
True |
18434 |
13 |
L |
G7 |
1 |
10 |
Steven |
-3.68 |
0.16 |
0.0000 |
254.35 |
True |
18434 |
13 |
L |
G7 |
1 |
11 |
Steven |
-3.69 |
0.18 |
0.0001 |
170.0 |
True |
18434 |
13 |
L |
G7 |
1 |
12 |
Steven |
-3.58 |
0.19 |
0.0000 |
180.15 |
True |
18434 |
13 |
L |
G7 |
1 |
13 |
Steven |
-3.66 |
0.16 |
0.0000 |
207.8 |
True |
18434 |
13 |
L |
G7 |
1 |
14 |
Steven |
-3.56 |
0.16 |
0.0000 |
205.8 |
True |
18434 |
13 |
L |
G7 |
1 |
15 |
Steven |
-3.63 |
0.13 |
0.0000 |
197.3 |
True |
18434 |
13 |
L |
G7 |
1 |
16 |
Steven |
-3.64 |
0.14 |
0.0000 |
254.25 |
True |
18434 |
13 |
L |
G7 |
1 |
17 |
Steven |
-3.73 |
0.25 |
0.0017 |
90.0 |
True |
18434 |
13 |
L |
G7 |
1 |
18 |
Steven |
-3.59 |
0.13 |
0.0000 |
204.25 |
True |
18434 |
13 |
L |
G7 |
1 |
19 |
Steven |
-3.64 |
0.19 |
0.0001 |
160.0 |
True |
18434 |
13 |
L |
G7 |
1 |
20 |
Steven |
-3.61 |
0.20 |
0.0001 |
140.0 |
True |
18434 |
13 |
L |
G7 |
1 |
21 |
Steven |
-3.66 |
0.15 |
0.0000 |
200.15 |
True |
18434 |
13 |
L |
G7 |
1 |
22 |
Steven |
-3.67 |
0.19 |
0.0000 |
160.0 |
True |
18434 |
13 |
L |
G7 |
1 |
23 |
Steven |
-3.68 |
0.15 |
0.0000 |
228.05 |
True |
18434 |
13 |
L |
G7 |
1 |
24 |
Steven |
-3.57 |
0.15 |
0.0000 |
211.65 |
True |
18434 |
13 |
L |
G7 |
1 |
25 |
Steven |
-3.59 |
0.20 |
0.0000 |
140.0 |
True |
18434 |
13 |
L |
G7 |
1 |
26 |
Steven |
-3.52 |
0.30 |
0.0001 |
160.3 |
True |
18434 |
13 |
L |
G7 |
1 |
27 |
Steven |
-3.70 |
0.14 |
0.0000 |
199.85 |
True |
18434 |
13 |
L |
G7 |
1 |
28 |
Steven |
-3.62 |
0.22 |
0.0000 |
226.1 |
True |
18434 |
13 |
L |
G7 |
1 |
29 |
Steven |
-3.68 |
0.15 |
0.0000 |
194.2 |
True |
18434 |
13 |
L |
G7 |
1 |
30 |
Steven |
-3.71 |
0.12 |
0.0000 |
273.0 |
True |
18434 |
13 |
L |
G7 |
1 |
31 |
Steven |
-3.68 |
0.11 |
0.0000 |
222.3 |
True |
18434 |
13 |
L |
G7 |
1 |
32 |
Steven |
-3.66 |
0.15 |
0.0000 |
227.85 |
True |
18434 |
13 |
L |
G7 |
1 |
33 |
Steven |
-3.63 |
0.14 |
0.0000 |
226.45 |
True |
18434 |
13 |
L |
G7 |
1 |
34 |
Steven |
-3.55 |
0.18 |
0.0000 |
218.8 |
True |
18434 |
13 |
L |
G7 |
1 |
35 |
Steven |
-3.56 |
0.14 |
0.0000 |
188.8 |
True |
18434 |
13 |
L |
G7 |
1 |
36 |
Steven |
-3.64 |
0.16 |
0.0001 |
150.0 |
True |
18434 |
13 |
L |
G7 |
1 |
37 |
Steven |
-3.62 |
0.15 |
0.0000 |
199.45 |
True |
18434 |
13 |
L |
G7 |
1 |
38 |
Steven |
-3.64 |
0.14 |
0.0000 |
180.0 |
True |
18434 |
13 |
L |
G7 |
1 |
39 |
Steven |
-3.66 |
0.17 |
0.0000 |
208.35 |
True |
18434 |
13 |
L |
G7 |
1 |
40 |
Steven |
-3.59 |
0.12 |
0.0000 |
228.85 |
True |
18434 |
13 |
L |
G7 |
1 |
41 |
Steven |
-3.65 |
0.20 |
0.0000 |
190.0 |
True |
18434 |
13 |
L |
G7 |
1 |
42 |
Steven |
-3.73 |
0.25 |
0.0009 |
90.05 |
True |
18434 |
13 |
L |
G7 |
1 |
43 |
Steven |
-3.67 |
0.15 |
0.0000 |
197.5 |
True |
18434 |
13 |
L |
G7 |
1 |
44 |
Steven |
-3.69 |
0.14 |
0.0000 |
174.4 |
True |
18434 |
13 |
L |
G7 |
1 |
45 |
Steven |
-3.62 |
0.14 |
0.0000 |
210.0 |
True |
18434 |
13 |
L |
G7 |
1 |
46 |
Steven |
-3.64 |
0.12 |
0.0000 |
180.15 |
True |
18434 |
13 |
L |
G7 |
1 |
47 |
Steven |
-3.66 |
0.13 |
0.0000 |
253.45 |
True |
18434 |
13 |
L |
G7 |
1 |
48 |
Steven |
-3.52 |
0.16 |
0.0000 |
180.0 |
True |
18434 |
13 |
L |
G7 |
1 |
49 |
Steven |
-3.62 |
0.13 |
0.0000 |
250.85 |
True |