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 |
38 |
RL_10 |
G9 |
2 |
0 |
Rob |
6.42 |
0.0 |
60.57 |
4.04 |
-10.90 |
4.05 |
-4.73 |
1.76 |
0.0155 |
220.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
1 |
Rob |
6.42 |
0.0 |
60.44 |
2.59 |
-11.01 |
2.61 |
-4.78 |
1.13 |
0.0079 |
340.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
2 |
Rob |
6.42 |
0.0 |
59.75 |
2.36 |
-11.71 |
2.37 |
-5.09 |
1.03 |
0.0099 |
400.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
3 |
Rob |
6.42 |
0.0 |
61.14 |
3.20 |
-10.41 |
3.20 |
-4.52 |
1.39 |
0.0099 |
270.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
4 |
Rob |
6.42 |
0.0 |
61.52 |
3.38 |
-10.01 |
3.39 |
-4.35 |
1.47 |
0.0124 |
300.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
5 |
Rob |
6.42 |
0.0 |
61.31 |
3.56 |
-10.17 |
3.57 |
-4.42 |
1.55 |
0.0124 |
290.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
6 |
Rob |
6.42 |
0.0 |
61.24 |
2.94 |
-10.23 |
2.96 |
-4.44 |
1.28 |
0.0124 |
360.1 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
7 |
Rob |
6.42 |
0.0 |
61.25 |
3.50 |
-10.26 |
3.51 |
-4.46 |
1.52 |
0.0079 |
640.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
8 |
Rob |
6.42 |
0.0 |
61.24 |
3.20 |
-10.13 |
3.20 |
-4.40 |
1.39 |
0.0155 |
340.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
9 |
Rob |
6.42 |
0.0 |
61.04 |
3.61 |
-10.42 |
3.62 |
-4.53 |
1.57 |
0.0124 |
240.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
10 |
Rob |
6.42 |
0.0 |
61.32 |
3.87 |
-10.23 |
3.88 |
-4.44 |
1.68 |
0.0124 |
200.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
11 |
Rob |
6.42 |
0.0 |
62.02 |
3.63 |
-9.41 |
3.63 |
-4.09 |
1.58 |
0.0099 |
330.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
12 |
Rob |
6.42 |
0.0 |
59.75 |
3.38 |
-11.69 |
3.39 |
-5.08 |
1.47 |
0.0079 |
290.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
13 |
Rob |
6.42 |
0.0 |
60.93 |
3.56 |
-10.55 |
3.57 |
-4.58 |
1.55 |
0.0124 |
330.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
14 |
Rob |
6.42 |
0.0 |
61.84 |
3.54 |
-9.71 |
3.54 |
-4.22 |
1.54 |
0.0099 |
330.2 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
15 |
Rob |
6.42 |
0.0 |
62.47 |
4.97 |
-9.02 |
4.97 |
-3.92 |
2.16 |
0.0242 |
160.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
16 |
Rob |
6.42 |
0.0 |
60.21 |
3.02 |
-11.30 |
3.02 |
-4.91 |
1.31 |
0.0155 |
260.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
17 |
Rob |
6.42 |
0.0 |
60.66 |
3.14 |
-10.70 |
3.15 |
-4.65 |
1.37 |
0.0063 |
280.1 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
18 |
Rob |
6.42 |
0.0 |
60.87 |
2.94 |
-10.44 |
2.96 |
-4.53 |
1.28 |
0.0124 |
280.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
19 |
Rob |
6.42 |
0.0 |
61.13 |
3.24 |
-10.30 |
3.25 |
-4.47 |
1.41 |
0.0124 |
460.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
20 |
Rob |
6.42 |
0.0 |
61.56 |
3.54 |
-9.93 |
3.55 |
-4.31 |
1.54 |
0.0099 |
470.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
21 |
Rob |
6.42 |
0.0 |
59.76 |
2.76 |
-11.74 |
2.76 |
-5.10 |
1.20 |
0.0099 |
360.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
22 |
Rob |
6.42 |
0.0 |
58.77 |
2.09 |
-12.81 |
2.11 |
-5.56 |
0.92 |
0.0063 |
390.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
23 |
Rob |
6.42 |
0.0 |
61.56 |
3.37 |
-9.91 |
3.39 |
-4.30 |
1.47 |
0.0079 |
390.1 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
24 |
Rob |
6.42 |
0.0 |
61.13 |
2.95 |
-10.27 |
2.96 |
-4.46 |
1.28 |
0.0099 |
450.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
25 |
Rob |
6.42 |
0.0 |
60.16 |
2.51 |
-11.34 |
2.53 |
-4.92 |
1.10 |
0.0063 |
350.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
26 |
Rob |
6.42 |
0.0 |
62.41 |
4.32 |
-8.99 |
4.32 |
-3.91 |
1.88 |
0.0155 |
330.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
27 |
Rob |
6.42 |
0.0 |
60.73 |
2.98 |
-10.66 |
2.99 |
-4.63 |
1.30 |
0.0124 |
370.35 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
28 |
Rob |
6.42 |
0.0 |
61.53 |
3.71 |
-9.92 |
3.72 |
-4.31 |
1.61 |
0.0193 |
310.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
29 |
Rob |
6.42 |
0.0 |
60.66 |
3.26 |
-10.86 |
3.27 |
-4.72 |
1.42 |
0.0079 |
330.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
30 |
Rob |
6.42 |
0.0 |
59.73 |
3.48 |
-11.68 |
3.49 |
-5.07 |
1.51 |
0.0063 |
210.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
31 |
Rob |
6.42 |
0.0 |
60.78 |
3.95 |
-10.52 |
3.97 |
-4.57 |
1.72 |
0.0124 |
270.3 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
32 |
Rob |
6.42 |
0.0 |
61.78 |
4.13 |
-9.71 |
4.15 |
-4.22 |
1.80 |
0.0079 |
320.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
33 |
Rob |
6.42 |
0.0 |
61.98 |
4.88 |
-9.47 |
4.88 |
-4.11 |
2.12 |
0.0124 |
340.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
34 |
Rob |
6.42 |
0.0 |
59.80 |
3.13 |
-11.74 |
3.15 |
-5.10 |
1.37 |
0.0099 |
230.1 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
35 |
Rob |
6.42 |
0.0 |
60.04 |
3.05 |
-11.42 |
3.06 |
-4.96 |
1.33 |
0.0079 |
210.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
36 |
Rob |
6.42 |
0.0 |
60.82 |
3.15 |
-10.72 |
3.15 |
-4.65 |
1.37 |
0.0124 |
300.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
37 |
Rob |
6.42 |
0.0 |
63.24 |
5.76 |
-8.34 |
5.77 |
-3.62 |
2.50 |
0.0124 |
410.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
38 |
Rob |
6.42 |
0.0 |
61.18 |
3.77 |
-10.24 |
3.77 |
-4.45 |
1.64 |
0.0124 |
420.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
39 |
Rob |
6.42 |
0.0 |
60.95 |
3.12 |
-10.46 |
3.13 |
-4.54 |
1.36 |
0.0079 |
400.05 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
40 |
Rob |
6.42 |
0.0 |
59.77 |
2.82 |
-11.71 |
2.83 |
-5.09 |
1.23 |
0.0124 |
340.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
41 |
Rob |
6.42 |
0.0 |
61.20 |
3.72 |
-10.22 |
3.73 |
-4.44 |
1.62 |
0.0124 |
330.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
42 |
Rob |
6.42 |
0.0 |
59.09 |
2.62 |
-12.36 |
2.63 |
-5.37 |
1.14 |
0.0079 |
390.15 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
43 |
Rob |
6.42 |
0.0 |
61.65 |
3.78 |
-9.86 |
3.79 |
-4.28 |
1.65 |
0.0124 |
390.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
44 |
Rob |
6.42 |
0.0 |
61.94 |
3.24 |
-9.58 |
3.25 |
-4.16 |
1.41 |
0.0099 |
390.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
45 |
Rob |
6.42 |
0.0 |
61.16 |
4.13 |
-10.13 |
4.14 |
-4.40 |
1.80 |
0.0155 |
300.1 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
46 |
Rob |
6.42 |
0.0 |
58.56 |
2.42 |
-13.00 |
2.44 |
-5.65 |
1.06 |
0.0124 |
230.1 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
47 |
Rob |
6.42 |
0.0 |
60.12 |
2.47 |
-11.30 |
2.48 |
-4.91 |
1.08 |
0.0079 |
450.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
48 |
Rob |
6.42 |
0.0 |
60.83 |
3.04 |
-10.73 |
3.05 |
-4.66 |
1.32 |
0.0099 |
390.0 |
True |
18433 |
38 |
RL_10 |
G9 |
2 |
49 |
Rob |
6.42 |
0.0 |
60.66 |
2.70 |
-10.97 |
2.71 |
-4.76 |
1.18 |
0.0079 |
420.0 |
True |
Project |
RUN |
System |
Guest |
Microstate |
CLONE |
Person |
dG2 (kT) |
dG2 sigma (kT) |
L WL-increment |
ns of L simulation |
Included |
18434 |
17 |
L |
G9 |
2 |
0 |
Rob |
-77.88 |
0.23 |
0.0000 |
210.0 |
True |
18434 |
17 |
L |
G9 |
2 |
1 |
Rob |
-77.86 |
0.27 |
0.0001 |
160.05 |
True |
18434 |
17 |
L |
G9 |
2 |
2 |
Rob |
-77.87 |
0.20 |
0.0000 |
234.7 |
True |
18434 |
17 |
L |
G9 |
2 |
3 |
Rob |
-77.96 |
0.19 |
0.0000 |
220.65 |
True |
18434 |
17 |
L |
G9 |
2 |
4 |
Rob |
-77.94 |
0.28 |
0.0003 |
170.05 |
True |
18434 |
17 |
L |
G9 |
2 |
5 |
Rob |
-77.90 |
0.22 |
0.0001 |
190.0 |
True |
18434 |
17 |
L |
G9 |
2 |
6 |
Rob |
-77.88 |
0.29 |
0.0000 |
220.0 |
True |
18434 |
17 |
L |
G9 |
2 |
7 |
Rob |
-77.93 |
0.15 |
0.0000 |
237.3 |
True |
18434 |
17 |
L |
G9 |
2 |
8 |
Rob |
-77.79 |
0.18 |
0.0000 |
200.25 |
True |
18434 |
17 |
L |
G9 |
2 |
9 |
Rob |
-77.87 |
0.25 |
0.0002 |
170.0 |
True |
18434 |
17 |
L |
G9 |
2 |
10 |
Rob |
-77.96 |
0.20 |
0.0001 |
170.0 |
True |
18434 |
17 |
L |
G9 |
2 |
11 |
Rob |
-77.85 |
0.23 |
0.0000 |
210.0 |
True |
18434 |
17 |
L |
G9 |
2 |
12 |
Rob |
-77.85 |
0.24 |
0.0001 |
170.0 |
True |
18434 |
17 |
L |
G9 |
2 |
13 |
Rob |
-77.89 |
0.25 |
0.0001 |
190.0 |
True |
18434 |
17 |
L |
G9 |
2 |
14 |
Rob |
-77.97 |
0.17 |
0.0000 |
240.0 |
True |
18434 |
17 |
L |
G9 |
2 |
15 |
Rob |
-77.91 |
0.19 |
0.0001 |
170.1 |
True |
18434 |
17 |
L |
G9 |
2 |
16 |
Rob |
-77.93 |
0.16 |
0.0000 |
232.85 |
True |
18434 |
17 |
L |
G9 |
2 |
17 |
Rob |
-77.77 |
0.24 |
0.0000 |
180.0 |
True |
18434 |
17 |
L |
G9 |
2 |
18 |
Rob |
-77.72 |
0.33 |
0.0005 |
130.0 |
True |
18434 |
17 |
L |
G9 |
2 |
19 |
Rob |
-77.84 |
0.19 |
0.0001 |
170.0 |
True |
18434 |
17 |
L |
G9 |
2 |
20 |
Rob |
-77.91 |
0.27 |
0.0001 |
160.0 |
True |
18434 |
17 |
L |
G9 |
2 |
21 |
Rob |
-77.91 |
0.18 |
0.0000 |
254.2 |
True |
18434 |
17 |
L |
G9 |
2 |
22 |
Rob |
-77.99 |
0.32 |
0.0009 |
120.0 |
True |
18434 |
17 |
L |
G9 |
2 |
23 |
Rob |
-77.88 |
0.28 |
0.0001 |
190.25 |
True |
18434 |
17 |
L |
G9 |
2 |
24 |
Rob |
-77.82 |
0.16 |
0.0000 |
222.75 |
True |
18434 |
17 |
L |
G9 |
2 |
25 |
Rob |
-77.92 |
0.28 |
0.0002 |
130.65 |
True |
18434 |
17 |
L |
G9 |
2 |
26 |
Rob |
-77.82 |
0.19 |
0.0000 |
225.65 |
True |
18434 |
17 |
L |
G9 |
2 |
27 |
Rob |
-77.80 |
0.24 |
0.0011 |
90.0 |
True |
18434 |
17 |
L |
G9 |
2 |
28 |
Rob |
-77.86 |
0.23 |
0.0003 |
130.0 |
True |
18434 |
17 |
L |
G9 |
2 |
29 |
Rob |
-77.94 |
0.33 |
0.0007 |
120.0 |
True |
18434 |
17 |
L |
G9 |
2 |
30 |
Rob |
-77.82 |
0.23 |
0.0004 |
140.05 |
True |
18434 |
17 |
L |
G9 |
2 |
31 |
Rob |
-77.72 |
0.37 |
0.0007 |
110.0 |
True |
18434 |
17 |
L |
G9 |
2 |
32 |
Rob |
-77.91 |
0.32 |
0.0004 |
130.05 |
True |
18434 |
17 |
L |
G9 |
2 |
33 |
Rob |
-77.87 |
0.23 |
0.0000 |
256.25 |
True |
18434 |
17 |
L |
G9 |
2 |
34 |
Rob |
-77.96 |
0.31 |
0.0002 |
140.2 |
True |
18434 |
17 |
L |
G9 |
2 |
35 |
Rob |
-77.88 |
0.23 |
0.0000 |
180.0 |
True |
18434 |
17 |
L |
G9 |
2 |
36 |
Rob |
-77.95 |
0.18 |
0.0000 |
222.8 |
True |
18434 |
17 |
L |
G9 |
2 |
37 |
Rob |
-78.00 |
0.23 |
0.0000 |
214.65 |
True |
18434 |
17 |
L |
G9 |
2 |
38 |
Rob |
-77.83 |
0.22 |
0.0000 |
180.05 |
True |
18434 |
17 |
L |
G9 |
2 |
39 |
Rob |
-77.82 |
0.22 |
0.0000 |
190.25 |
True |
18434 |
17 |
L |
G9 |
2 |
40 |
Rob |
-77.89 |
0.23 |
0.0000 |
298.1 |
True |
18434 |
17 |
L |
G9 |
2 |
41 |
Rob |
-77.84 |
0.32 |
0.0009 |
110.0 |
True |
18434 |
17 |
L |
G9 |
2 |
42 |
Rob |
-77.87 |
0.20 |
0.0000 |
230.3 |
True |
18434 |
17 |
L |
G9 |
2 |
43 |
Rob |
-77.92 |
0.28 |
0.0001 |
180.0 |
True |
18434 |
17 |
L |
G9 |
2 |
44 |
Rob |
-77.94 |
0.21 |
0.0001 |
190.0 |
True |
18434 |
17 |
L |
G9 |
2 |
45 |
Rob |
-77.71 |
0.29 |
0.0004 |
120.05 |
True |
18434 |
17 |
L |
G9 |
2 |
46 |
Rob |
-77.98 |
0.31 |
0.0004 |
140.0 |
True |
18434 |
17 |
L |
G9 |
2 |
47 |
Rob |
-77.83 |
0.22 |
0.0000 |
235.6 |
True |
18434 |
17 |
L |
G9 |
2 |
48 |
Rob |
-77.97 |
0.25 |
0.0000 |
230.25 |
True |
18434 |
17 |
L |
G9 |
2 |
49 |
Rob |
-78.04 |
0.25 |
0.0001 |
170.0 |
True |