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 |
23 |
RL_10 |
G1 |
1 |
0 |
Matt |
6.42 |
0.0 |
25.04 |
5.61 |
6.94 |
5.61 |
3.01 |
2.44 |
0.0193 |
380.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
1 |
Matt |
6.42 |
0.0 |
27.34 |
4.43 |
8.33 |
6.49 |
3.62 |
2.82 |
0.0155 |
330.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
2 |
Matt |
6.42 |
0.0 |
26.27 |
5.78 |
4.46 |
6.06 |
1.94 |
2.63 |
0.0242 |
380.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
3 |
Matt |
6.42 |
0.0 |
24.08 |
5.88 |
2.59 |
6.95 |
1.12 |
3.02 |
0.0242 |
270.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
4 |
Matt |
6.42 |
0.0 |
24.47 |
6.28 |
3.01 |
7.13 |
1.31 |
3.10 |
0.0193 |
310.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
5 |
Matt |
6.42 |
0.0 |
25.97 |
5.40 |
4.93 |
6.48 |
2.14 |
2.81 |
0.0193 |
300.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
6 |
Matt |
6.42 |
0.0 |
26.93 |
5.85 |
6.48 |
7.15 |
2.82 |
3.10 |
0.0193 |
490.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
7 |
Matt |
6.42 |
0.0 |
24.28 |
5.71 |
3.85 |
6.74 |
1.67 |
2.93 |
0.0193 |
330.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
8 |
Matt |
6.42 |
0.0 |
25.45 |
5.84 |
4.07 |
6.68 |
1.77 |
2.90 |
0.0242 |
430.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
9 |
Matt |
6.42 |
0.0 |
26.44 |
6.01 |
5.02 |
6.85 |
2.18 |
2.98 |
0.0193 |
300.2 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
10 |
Matt |
6.42 |
0.0 |
24.82 |
5.01 |
2.51 |
7.30 |
1.09 |
3.17 |
0.0155 |
400.3 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
11 |
Matt |
6.42 |
0.0 |
27.39 |
4.92 |
8.07 |
6.30 |
3.50 |
2.74 |
0.0124 |
240.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
12 |
Matt |
6.42 |
0.0 |
25.08 |
4.34 |
5.30 |
6.25 |
2.30 |
2.72 |
0.0242 |
210.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
13 |
Matt |
6.42 |
0.0 |
23.53 |
5.44 |
2.13 |
6.56 |
0.93 |
2.85 |
0.0242 |
300.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
14 |
Matt |
6.42 |
0.0 |
25.43 |
5.98 |
2.82 |
7.70 |
1.23 |
3.34 |
0.0242 |
290.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
15 |
Matt |
6.42 |
0.0 |
22.62 |
5.56 |
0.19 |
6.71 |
0.08 |
2.91 |
0.0242 |
200.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
16 |
Matt |
6.42 |
0.0 |
25.85 |
5.31 |
5.66 |
7.47 |
2.46 |
3.24 |
0.0193 |
280.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
17 |
Matt |
6.42 |
0.0 |
25.11 |
5.22 |
4.09 |
6.01 |
1.77 |
2.61 |
0.0378 |
180.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
18 |
Matt |
6.42 |
0.0 |
26.26 |
5.32 |
3.66 |
6.68 |
1.59 |
2.90 |
0.0155 |
480.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
19 |
Matt |
6.42 |
0.0 |
23.53 |
4.55 |
2.13 |
5.28 |
0.93 |
2.30 |
0.0193 |
460.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
20 |
Matt |
6.42 |
0.0 |
25.99 |
5.43 |
2.02 |
7.31 |
0.88 |
3.18 |
0.0193 |
270.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
21 |
Matt |
6.42 |
0.0 |
23.88 |
7.21 |
0.85 |
8.15 |
0.37 |
3.54 |
0.0378 |
310.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
22 |
Matt |
6.42 |
0.0 |
25.08 |
6.84 |
5.27 |
8.22 |
2.29 |
3.57 |
0.0193 |
350.3 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
23 |
Matt |
6.42 |
0.0 |
25.65 |
6.39 |
3.27 |
6.99 |
1.42 |
3.03 |
0.0193 |
340.2 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
24 |
Matt |
6.42 |
0.0 |
25.35 |
5.79 |
3.20 |
7.07 |
1.39 |
3.07 |
0.0242 |
340.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
25 |
Matt |
6.42 |
0.0 |
25.57 |
5.54 |
5.68 |
6.53 |
2.47 |
2.84 |
0.0193 |
350.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
26 |
Matt |
6.42 |
0.0 |
25.38 |
5.55 |
2.82 |
6.05 |
1.22 |
2.63 |
0.0242 |
320.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
27 |
Matt |
6.42 |
0.0 |
25.74 |
5.68 |
4.66 |
7.37 |
2.02 |
3.20 |
0.0155 |
300.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
28 |
Matt |
6.42 |
0.0 |
26.23 |
5.47 |
6.62 |
6.24 |
2.87 |
2.71 |
0.0193 |
290.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
29 |
Matt |
6.42 |
0.0 |
23.64 |
5.63 |
2.83 |
8.47 |
1.23 |
3.68 |
0.0302 |
280.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
30 |
Matt |
6.42 |
0.0 |
24.53 |
4.92 |
3.62 |
6.31 |
1.57 |
2.74 |
0.0193 |
410.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
31 |
Matt |
6.42 |
0.0 |
27.52 |
5.31 |
6.32 |
6.41 |
2.75 |
2.79 |
0.0155 |
410.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
32 |
Matt |
6.42 |
0.0 |
25.59 |
6.33 |
4.08 |
6.97 |
1.77 |
3.03 |
0.0242 |
320.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
33 |
Matt |
6.42 |
0.0 |
24.87 |
5.87 |
3.68 |
6.40 |
1.60 |
2.78 |
0.0193 |
460.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
34 |
Matt |
6.42 |
0.0 |
25.37 |
5.13 |
1.32 |
6.65 |
0.57 |
2.89 |
0.0193 |
490.1 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
35 |
Matt |
6.42 |
0.0 |
25.55 |
5.29 |
4.79 |
7.09 |
2.08 |
3.08 |
0.0193 |
320.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
36 |
Matt |
6.42 |
0.0 |
25.49 |
5.30 |
2.06 |
6.35 |
0.90 |
2.76 |
0.0193 |
370.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
37 |
Matt |
6.42 |
0.0 |
24.83 |
5.71 |
2.55 |
7.72 |
1.11 |
3.35 |
0.0193 |
350.1 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
38 |
Matt |
6.42 |
0.0 |
24.69 |
5.15 |
-0.08 |
6.52 |
-0.04 |
2.83 |
0.0193 |
240.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
39 |
Matt |
6.42 |
0.0 |
23.27 |
4.82 |
0.73 |
5.50 |
0.32 |
2.39 |
0.0378 |
170.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
40 |
Matt |
6.42 |
0.0 |
24.80 |
6.20 |
4.03 |
7.35 |
1.75 |
3.19 |
0.0193 |
270.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
41 |
Matt |
6.42 |
0.0 |
25.97 |
5.59 |
4.24 |
8.25 |
1.84 |
3.58 |
0.0302 |
330.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
42 |
Matt |
6.42 |
0.0 |
26.00 |
4.27 |
4.40 |
5.48 |
1.91 |
2.38 |
0.0155 |
370.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
43 |
Matt |
6.42 |
0.0 |
26.56 |
5.88 |
2.41 |
7.37 |
1.05 |
3.20 |
0.0193 |
310.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
44 |
Matt |
6.42 |
0.0 |
26.39 |
5.98 |
5.75 |
7.94 |
2.50 |
3.45 |
0.0242 |
330.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
45 |
Matt |
6.42 |
0.0 |
24.73 |
5.51 |
3.02 |
7.54 |
1.31 |
3.27 |
0.0193 |
310.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
46 |
Matt |
6.42 |
0.0 |
24.21 |
4.90 |
3.09 |
5.84 |
1.34 |
2.54 |
0.0193 |
300.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
47 |
Matt |
6.42 |
0.0 |
24.54 |
5.76 |
1.06 |
6.11 |
0.46 |
2.65 |
0.0193 |
430.25 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
48 |
Matt |
6.42 |
0.0 |
26.27 |
6.99 |
5.98 |
8.66 |
2.60 |
3.76 |
0.0302 |
330.0 |
True |
18433 |
23 |
RL_10 |
G1 |
1 |
49 |
Matt |
6.42 |
0.0 |
23.35 |
5.36 |
3.68 |
6.92 |
1.60 |
3.01 |
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 |
1 |
L |
G1 |
1 |
0 |
Matt |
-24.51 |
0.00 |
0.2815 |
10.0 |
True |
18434 |
1 |
L |
G1 |
1 |
1 |
Matt |
-25.43 |
4.74 |
0.0124 |
160.0 |
True |
18434 |
1 |
L |
G1 |
1 |
2 |
Matt |
-28.23 |
1.82 |
0.0099 |
120.1 |
True |
18434 |
1 |
L |
G1 |
1 |
3 |
Matt |
-27.91 |
3.70 |
0.0155 |
160.0 |
True |
18434 |
1 |
L |
G1 |
1 |
4 |
Matt |
-27.88 |
3.39 |
0.0079 |
210.0 |
True |
18434 |
1 |
L |
G1 |
1 |
5 |
Matt |
-27.46 |
3.57 |
0.0378 |
70.15 |
True |
18434 |
1 |
L |
G1 |
1 |
6 |
Matt |
-26.86 |
4.11 |
0.0242 |
120.0 |
True |
18434 |
1 |
L |
G1 |
1 |
7 |
Matt |
-26.85 |
3.59 |
0.0155 |
190.15 |
True |
18434 |
1 |
L |
G1 |
1 |
8 |
Matt |
-27.79 |
3.24 |
0.0079 |
190.0 |
True |
18434 |
1 |
L |
G1 |
1 |
9 |
Matt |
-27.84 |
3.29 |
0.0051 |
320.0 |
True |
18434 |
1 |
L |
G1 |
1 |
10 |
Matt |
-28.73 |
5.31 |
0.0124 |
210.15 |
True |
18434 |
1 |
L |
G1 |
1 |
11 |
Matt |
-25.74 |
3.93 |
0.0155 |
160.0 |
True |
18434 |
1 |
L |
G1 |
1 |
12 |
Matt |
-26.20 |
4.50 |
0.0193 |
150.4 |
True |
18434 |
1 |
L |
G1 |
1 |
13 |
Matt |
-27.66 |
3.64 |
0.0124 |
210.0 |
True |
18434 |
1 |
L |
G1 |
1 |
14 |
Matt |
-29.02 |
4.84 |
0.0063 |
250.1 |
True |
18434 |
1 |
L |
G1 |
1 |
15 |
Matt |
-28.84 |
3.76 |
0.0099 |
260.35 |
True |
18434 |
1 |
L |
G1 |
1 |
16 |
Matt |
-26.60 |
5.25 |
0.0155 |
180.0 |
True |
18434 |
1 |
L |
G1 |
1 |
17 |
Matt |
-27.44 |
2.98 |
0.0099 |
230.0 |
True |
18434 |
1 |
L |
G1 |
1 |
18 |
Matt |
-29.01 |
4.04 |
0.0124 |
230.25 |
True |
18434 |
1 |
L |
G1 |
1 |
19 |
Matt |
-27.82 |
2.69 |
0.0124 |
260.0 |
True |
18434 |
1 |
L |
G1 |
1 |
20 |
Matt |
-30.38 |
4.90 |
0.0063 |
210.0 |
True |
18434 |
1 |
L |
G1 |
1 |
21 |
Matt |
-29.40 |
3.73 |
0.0063 |
260.0 |
True |
18434 |
1 |
L |
G1 |
1 |
22 |
Matt |
-26.23 |
4.56 |
0.0063 |
260.2 |
True |
18434 |
1 |
L |
G1 |
1 |
23 |
Matt |
-28.79 |
2.83 |
0.0079 |
190.0 |
True |
18434 |
1 |
L |
G1 |
1 |
24 |
Matt |
-28.56 |
4.06 |
0.0099 |
210.0 |
True |
18434 |
1 |
L |
G1 |
1 |
25 |
Matt |
-26.30 |
3.45 |
0.0079 |
260.1 |
True |
18434 |
1 |
L |
G1 |
1 |
26 |
Matt |
-28.97 |
2.40 |
0.0124 |
160.0 |
True |
18434 |
1 |
L |
G1 |
1 |
27 |
Matt |
-27.50 |
4.70 |
0.0124 |
220.05 |
True |
18434 |
1 |
L |
G1 |
1 |
28 |
Matt |
-26.03 |
3.00 |
0.0051 |
150.0 |
True |
18434 |
1 |
L |
G1 |
1 |
29 |
Matt |
-27.22 |
6.32 |
0.0063 |
240.0 |
True |
18434 |
1 |
L |
G1 |
1 |
30 |
Matt |
-27.32 |
3.95 |
0.0124 |
200.25 |
True |
18434 |
1 |
L |
G1 |
1 |
31 |
Matt |
-27.61 |
3.60 |
0.0079 |
230.0 |
True |
18434 |
1 |
L |
G1 |
1 |
32 |
Matt |
-27.92 |
2.92 |
0.0099 |
150.15 |
True |
18434 |
1 |
L |
G1 |
1 |
33 |
Matt |
-27.67 |
2.51 |
0.0063 |
170.1 |
True |
18434 |
1 |
L |
G1 |
1 |
34 |
Matt |
-30.47 |
4.23 |
0.0041 |
210.3 |
True |
18434 |
1 |
L |
G1 |
1 |
35 |
Matt |
-27.18 |
4.72 |
0.0099 |
310.0 |
True |
18434 |
1 |
L |
G1 |
1 |
36 |
Matt |
-29.84 |
3.49 |
0.0079 |
230.0 |
True |
18434 |
1 |
L |
G1 |
1 |
37 |
Matt |
-28.70 |
5.20 |
0.0099 |
220.0 |
True |
18434 |
1 |
L |
G1 |
1 |
38 |
Matt |
-31.19 |
4.00 |
0.0079 |
180.05 |
True |
18434 |
1 |
L |
G1 |
1 |
39 |
Matt |
-28.96 |
2.66 |
0.0063 |
120.0 |
True |
18434 |
1 |
L |
G1 |
1 |
40 |
Matt |
-27.13 |
3.86 |
0.0063 |
270.65 |
True |
18434 |
1 |
L |
G1 |
1 |
41 |
Matt |
-28.15 |
6.06 |
0.0063 |
220.0 |
True |
18434 |
1 |
L |
G1 |
1 |
42 |
Matt |
-28.01 |
3.43 |
0.0155 |
190.0 |
True |
18434 |
1 |
L |
G1 |
1 |
43 |
Matt |
-30.37 |
4.41 |
0.0063 |
210.0 |
True |
18434 |
1 |
L |
G1 |
1 |
44 |
Matt |
-27.06 |
5.23 |
0.0124 |
190.0 |
True |
18434 |
1 |
L |
G1 |
1 |
45 |
Matt |
-28.12 |
5.14 |
0.0079 |
270.1 |
True |
18434 |
1 |
L |
G1 |
1 |
46 |
Matt |
-27.53 |
3.17 |
0.0051 |
260.0 |
True |
18434 |
1 |
L |
G1 |
1 |
47 |
Matt |
-29.66 |
2.06 |
0.0079 |
130.05 |
True |
18434 |
1 |
L |
G1 |
1 |
48 |
Matt |
-26.70 |
5.12 |
0.0099 |
210.0 |
True |
18434 |
1 |
L |
G1 |
1 |
49 |
Matt |
-26.09 |
4.38 |
0.0124 |
150.0 |
True |