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 |
63 |
RL_12 |
G11 |
1 |
0 |
Julie |
6.42 |
0.0 |
-104.82 |
3.06 |
-14.94 |
3.12 |
-6.49 |
1.36 |
0.0124 |
250.1 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
1 |
Julie |
6.42 |
0.0 |
-105.01 |
3.18 |
-14.87 |
3.20 |
-6.46 |
1.39 |
0.0079 |
370.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
2 |
Julie |
6.42 |
0.0 |
-104.67 |
3.06 |
-14.53 |
3.07 |
-6.31 |
1.33 |
0.0124 |
400.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
3 |
Julie |
6.42 |
0.0 |
-105.40 |
3.61 |
-15.27 |
3.62 |
-6.63 |
1.57 |
0.0193 |
260.05 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
4 |
Julie |
6.42 |
0.0 |
-104.75 |
2.72 |
-14.50 |
2.73 |
-6.30 |
1.19 |
0.0124 |
420.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
5 |
Julie |
6.42 |
0.0 |
-104.14 |
3.17 |
-13.89 |
3.19 |
-6.03 |
1.38 |
0.0124 |
330.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
6 |
Julie |
6.42 |
0.0 |
-104.49 |
3.56 |
-14.35 |
3.57 |
-6.23 |
1.55 |
0.0099 |
360.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
7 |
Julie |
6.42 |
0.0 |
-104.98 |
3.01 |
-14.78 |
3.02 |
-6.42 |
1.31 |
0.0124 |
290.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
8 |
Julie |
6.42 |
0.0 |
-104.75 |
2.76 |
-14.55 |
2.77 |
-6.32 |
1.20 |
0.0124 |
300.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
9 |
Julie |
6.42 |
0.0 |
-105.04 |
5.01 |
-14.89 |
5.01 |
-6.47 |
2.18 |
0.0302 |
120.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
10 |
Julie |
6.42 |
0.0 |
-104.07 |
3.36 |
-13.74 |
3.37 |
-5.97 |
1.46 |
0.0193 |
370.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
11 |
Julie |
6.42 |
0.0 |
-104.54 |
3.05 |
-14.34 |
3.06 |
-6.23 |
1.33 |
0.0155 |
380.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
12 |
Julie |
6.42 |
0.0 |
-105.44 |
2.59 |
-15.27 |
2.60 |
-6.63 |
1.13 |
0.0124 |
290.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
13 |
Julie |
6.42 |
0.0 |
-104.95 |
3.19 |
-14.75 |
3.20 |
-6.41 |
1.39 |
0.0124 |
290.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
14 |
Julie |
6.42 |
0.0 |
-104.98 |
3.59 |
-14.88 |
3.59 |
-6.46 |
1.56 |
0.0155 |
490.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
15 |
Julie |
6.42 |
0.0 |
-104.88 |
3.40 |
-14.59 |
3.41 |
-6.34 |
1.48 |
0.0193 |
210.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
16 |
Julie |
6.42 |
0.0 |
-105.18 |
2.81 |
-14.99 |
2.82 |
-6.51 |
1.22 |
0.0099 |
400.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
17 |
Julie |
6.42 |
0.0 |
-104.17 |
3.22 |
-14.02 |
3.23 |
-6.09 |
1.40 |
0.0193 |
190.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
18 |
Julie |
6.42 |
0.0 |
-104.91 |
3.32 |
-14.74 |
3.32 |
-6.40 |
1.44 |
0.0124 |
410.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
19 |
Julie |
6.42 |
0.0 |
-104.91 |
3.23 |
-14.78 |
3.24 |
-6.42 |
1.41 |
0.0242 |
190.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
20 |
Julie |
6.42 |
0.0 |
-105.54 |
3.73 |
-15.33 |
3.73 |
-6.66 |
1.62 |
0.0155 |
240.2 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
21 |
Julie |
6.42 |
0.0 |
-106.02 |
2.91 |
-15.81 |
2.92 |
-6.87 |
1.27 |
0.0099 |
360.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
22 |
Julie |
6.42 |
0.0 |
-105.51 |
2.96 |
-15.23 |
2.98 |
-6.62 |
1.29 |
0.0155 |
300.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
23 |
Julie |
6.42 |
0.0 |
-105.14 |
3.77 |
-15.05 |
3.78 |
-6.54 |
1.64 |
0.0124 |
300.25 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
24 |
Julie |
6.42 |
0.0 |
-104.55 |
3.84 |
-14.25 |
3.84 |
-6.19 |
1.67 |
0.0155 |
260.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
25 |
Julie |
6.42 |
0.0 |
-104.36 |
2.94 |
-14.20 |
2.96 |
-6.17 |
1.28 |
0.0099 |
460.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
26 |
Julie |
6.42 |
0.0 |
-105.22 |
3.57 |
-15.07 |
3.57 |
-6.54 |
1.55 |
0.0193 |
170.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
27 |
Julie |
6.42 |
0.0 |
-105.22 |
2.79 |
-14.90 |
2.81 |
-6.47 |
1.22 |
0.0124 |
300.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
28 |
Julie |
6.42 |
0.0 |
-105.64 |
2.44 |
-15.36 |
2.45 |
-6.67 |
1.06 |
0.0079 |
430.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
29 |
Julie |
6.42 |
0.0 |
-105.49 |
4.06 |
-15.32 |
4.08 |
-6.65 |
1.77 |
0.0193 |
270.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
30 |
Julie |
6.42 |
0.0 |
-104.51 |
3.10 |
-14.22 |
3.11 |
-6.18 |
1.35 |
0.0155 |
370.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
31 |
Julie |
6.42 |
0.0 |
-104.95 |
3.30 |
-14.81 |
3.31 |
-6.43 |
1.44 |
0.0193 |
360.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
32 |
Julie |
6.42 |
0.0 |
-105.06 |
2.95 |
-14.84 |
2.96 |
-6.45 |
1.29 |
0.0099 |
450.1 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
33 |
Julie |
6.42 |
0.0 |
-104.53 |
3.05 |
-14.29 |
3.06 |
-6.20 |
1.33 |
0.0155 |
490.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
34 |
Julie |
6.42 |
0.0 |
-104.79 |
3.12 |
-14.54 |
3.13 |
-6.32 |
1.36 |
0.0099 |
290.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
35 |
Julie |
6.42 |
0.0 |
-104.11 |
3.64 |
-13.89 |
3.64 |
-6.03 |
1.58 |
0.0155 |
400.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
36 |
Julie |
6.42 |
0.0 |
-104.99 |
3.36 |
-14.70 |
3.37 |
-6.38 |
1.46 |
0.0155 |
290.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
37 |
Julie |
6.42 |
0.0 |
-104.00 |
4.46 |
-13.67 |
4.48 |
-5.94 |
1.94 |
0.0155 |
300.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
38 |
Julie |
6.42 |
0.0 |
-104.98 |
3.41 |
-14.85 |
3.43 |
-6.45 |
1.49 |
0.0155 |
310.55 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
39 |
Julie |
6.42 |
0.0 |
-104.49 |
3.04 |
-14.25 |
3.05 |
-6.19 |
1.32 |
0.0099 |
450.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
40 |
Julie |
6.42 |
0.0 |
-105.44 |
2.95 |
-15.23 |
2.96 |
-6.62 |
1.29 |
0.0079 |
430.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
41 |
Julie |
6.42 |
0.0 |
-105.36 |
3.33 |
-15.23 |
3.33 |
-6.61 |
1.45 |
0.0193 |
210.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
42 |
Julie |
6.42 |
0.0 |
-105.06 |
3.18 |
-14.75 |
3.19 |
-6.41 |
1.39 |
0.0242 |
150.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
43 |
Julie |
6.42 |
0.0 |
-104.43 |
2.77 |
-14.37 |
2.78 |
-6.24 |
1.21 |
0.0099 |
400.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
44 |
Julie |
6.42 |
0.0 |
-104.74 |
2.96 |
-14.56 |
2.96 |
-6.32 |
1.29 |
0.0124 |
290.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
45 |
Julie |
6.42 |
0.0 |
-103.90 |
3.90 |
-13.73 |
3.91 |
-5.96 |
1.70 |
0.0155 |
220.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
46 |
Julie |
6.42 |
0.0 |
-105.02 |
3.52 |
-14.81 |
3.52 |
-6.43 |
1.53 |
0.0193 |
310.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
47 |
Julie |
6.42 |
0.0 |
-104.64 |
3.35 |
-14.40 |
3.36 |
-6.25 |
1.46 |
0.0099 |
430.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
48 |
Julie |
6.42 |
0.0 |
-104.69 |
3.45 |
-14.38 |
3.46 |
-6.25 |
1.50 |
0.0193 |
160.0 |
True |
18433 |
63 |
RL_12 |
G11 |
1 |
49 |
Julie |
6.42 |
0.0 |
-103.42 |
4.13 |
-13.27 |
4.14 |
-5.76 |
1.80 |
0.0242 |
170.0 |
True |
Project |
RUN |
System |
Guest |
Microstate |
CLONE |
Person |
dG2 (kT) |
dG2 sigma (kT) |
L WL-increment |
ns of L simulation |
Included |
18434 |
19 |
L |
G11 |
1 |
0 |
Julie |
83.46 |
0.61 |
0.0302 |
30.0 |
True |
18434 |
19 |
L |
G11 |
1 |
1 |
Julie |
83.72 |
0.31 |
0.0003 |
110.0 |
True |
18434 |
19 |
L |
G11 |
1 |
2 |
Julie |
83.73 |
0.25 |
0.0000 |
270.0 |
True |
18434 |
19 |
L |
G11 |
1 |
3 |
Julie |
83.72 |
0.27 |
0.0000 |
250.35 |
True |
18434 |
19 |
L |
G11 |
1 |
4 |
Julie |
83.84 |
0.26 |
0.0002 |
180.05 |
True |
18434 |
19 |
L |
G11 |
1 |
5 |
Julie |
83.83 |
0.28 |
0.0002 |
160.0 |
True |
18434 |
19 |
L |
G11 |
1 |
6 |
Julie |
83.72 |
0.31 |
0.0001 |
220.3 |
True |
18434 |
19 |
L |
G11 |
1 |
7 |
Julie |
83.79 |
0.22 |
0.0000 |
240.0 |
True |
18434 |
19 |
L |
G11 |
1 |
8 |
Julie |
83.79 |
0.21 |
0.0000 |
277.0 |
True |
18434 |
19 |
L |
G11 |
1 |
9 |
Julie |
83.73 |
0.21 |
0.0000 |
232.6 |
True |
18434 |
19 |
L |
G11 |
1 |
10 |
Julie |
83.91 |
0.22 |
0.0001 |
240.0 |
True |
18434 |
19 |
L |
G11 |
1 |
11 |
Julie |
83.78 |
0.28 |
0.0007 |
140.0 |
True |
18434 |
19 |
L |
G11 |
1 |
12 |
Julie |
83.75 |
0.25 |
0.0000 |
239.25 |
True |
18434 |
19 |
L |
G11 |
1 |
13 |
Julie |
83.78 |
0.26 |
0.0000 |
220.0 |
True |
18434 |
19 |
L |
G11 |
1 |
14 |
Julie |
83.69 |
0.16 |
0.0000 |
250.15 |
True |
18434 |
19 |
L |
G11 |
1 |
15 |
Julie |
83.87 |
0.24 |
0.0000 |
294.45 |
True |
18434 |
19 |
L |
G11 |
1 |
16 |
Julie |
83.78 |
0.20 |
0.0000 |
220.0 |
True |
18434 |
19 |
L |
G11 |
1 |
17 |
Julie |
83.73 |
0.29 |
0.0001 |
220.1 |
True |
18434 |
19 |
L |
G11 |
1 |
18 |
Julie |
83.75 |
0.20 |
0.0000 |
254.65 |
True |
18434 |
19 |
L |
G11 |
1 |
19 |
Julie |
83.71 |
0.21 |
0.0000 |
282.8 |
True |
18434 |
19 |
L |
G11 |
1 |
20 |
Julie |
83.79 |
0.21 |
0.0002 |
160.4 |
True |
18434 |
19 |
L |
G11 |
1 |
21 |
Julie |
83.80 |
0.23 |
0.0001 |
180.0 |
True |
18434 |
19 |
L |
G11 |
1 |
22 |
Julie |
83.86 |
0.30 |
0.0007 |
140.0 |
True |
18434 |
19 |
L |
G11 |
1 |
23 |
Julie |
83.67 |
0.18 |
0.0000 |
251.5 |
True |
18434 |
19 |
L |
G11 |
1 |
24 |
Julie |
83.88 |
0.20 |
0.0000 |
270.05 |
True |
18434 |
19 |
L |
G11 |
1 |
25 |
Julie |
83.74 |
0.29 |
0.0009 |
130.0 |
True |
18434 |
19 |
L |
G11 |
1 |
26 |
Julie |
83.74 |
0.21 |
0.0003 |
170.0 |
True |
18434 |
19 |
L |
G11 |
1 |
27 |
Julie |
83.90 |
0.36 |
0.0003 |
150.15 |
True |
18434 |
19 |
L |
G11 |
1 |
28 |
Julie |
83.86 |
0.19 |
0.0000 |
278.45 |
True |
18434 |
19 |
L |
G11 |
1 |
29 |
Julie |
83.76 |
0.39 |
0.0007 |
130.0 |
True |
18434 |
19 |
L |
G11 |
1 |
30 |
Julie |
83.88 |
0.21 |
0.0000 |
229.1 |
True |
18434 |
19 |
L |
G11 |
1 |
31 |
Julie |
83.73 |
0.27 |
0.0000 |
240.05 |
True |
18434 |
19 |
L |
G11 |
1 |
32 |
Julie |
83.80 |
0.25 |
0.0000 |
200.05 |
True |
18434 |
19 |
L |
G11 |
1 |
33 |
Julie |
83.83 |
0.15 |
0.0000 |
279.95 |
True |
18434 |
19 |
L |
G11 |
1 |
34 |
Julie |
83.83 |
0.21 |
0.0000 |
240.0 |
True |
18434 |
19 |
L |
G11 |
1 |
35 |
Julie |
83.81 |
0.23 |
0.0002 |
140.0 |
True |
18434 |
19 |
L |
G11 |
1 |
36 |
Julie |
83.87 |
0.22 |
0.0000 |
250.1 |
True |
18434 |
19 |
L |
G11 |
1 |
37 |
Julie |
83.91 |
0.38 |
0.0013 |
90.0 |
True |
18434 |
19 |
L |
G11 |
1 |
38 |
Julie |
83.72 |
0.35 |
0.0007 |
130.15 |
True |
18434 |
19 |
L |
G11 |
1 |
39 |
Julie |
83.83 |
0.26 |
0.0001 |
200.1 |
True |
18434 |
19 |
L |
G11 |
1 |
40 |
Julie |
83.79 |
0.28 |
0.0000 |
230.0 |
True |
18434 |
19 |
L |
G11 |
1 |
41 |
Julie |
83.72 |
0.22 |
0.0003 |
120.0 |
True |
18434 |
19 |
L |
G11 |
1 |
42 |
Julie |
83.89 |
0.30 |
0.0002 |
200.0 |
True |
18434 |
19 |
L |
G11 |
1 |
43 |
Julie |
83.64 |
0.19 |
0.0000 |
263.55 |
True |
18434 |
19 |
L |
G11 |
1 |
44 |
Julie |
83.76 |
0.15 |
0.0000 |
242.7 |
True |
18434 |
19 |
L |
G11 |
1 |
45 |
Julie |
83.75 |
0.27 |
0.0002 |
190.2 |
True |
18434 |
19 |
L |
G11 |
1 |
46 |
Julie |
83.80 |
0.21 |
0.0000 |
210.95 |
True |
18434 |
19 |
L |
G11 |
1 |
47 |
Julie |
83.83 |
0.29 |
0.0002 |
170.0 |
True |
18434 |
19 |
L |
G11 |
1 |
48 |
Julie |
83.89 |
0.27 |
0.0002 |
190.0 |
True |
18434 |
19 |
L |
G11 |
1 |
49 |
Julie |
83.73 |
0.21 |
0.0000 |
240.1 |
True |