|
|
|
Model |
Gr.Name |
ab-initio/ optimized |
auto/ man. |
modif. map. |
fit |
MM |
NNP |
PH4 |
MP score |
Clash score |
Rota out,% |
Rama out,% |
Rama fv,% |
Conf out,% |
Cα out,% |
Suite out,% |
Pucker out,% |
HOH clash,% |
Lig |
Angl rmsz |
Bond rmsz |
Angl out |
Bond out |
Chirl out |
Ring out |
Tors out |
Clash |
Complete |
Composite Score |
1 |
T0203EM001_1
|
kihara |
abinit+opt |
auto+man |
no |
refit |
1.64 |
2.91
|
1.67
|
2.43
|
94.25 |
3.20
|
1.13 |
- |
- |
- |
PEE |
0.90 |
0.91 |
1.00 |
1.00 |
0.00 |
0.00 |
11.00 |
0.50 |
0.45 |
0.53 |
14.00 |
- |
5.15 |
2 |
T0203EM001_2
|
kihara |
optim |
auto+man |
no |
optimized |
1.16 |
2.70
|
0.74
|
0.00
|
97.48 |
0.70
|
0.00 |
- |
- |
5.47 |
PEE |
0.86 |
1.11 |
1.00 |
2.00 |
0.00 |
0.00 |
8.50 |
0.00 |
0.47 |
0.50 |
6.40 |
- |
11.95 |
3 |
T0203EM001_3
|
kihara |
optim |
auto+man |
no |
refit |
1.10 |
1.62
|
1.48
|
0.00
|
97.71 |
0.70
|
0.00 |
- |
- |
1.69 |
PEE |
1.16 |
1.21 |
1.50 |
3.00 |
0.00 |
0.00 |
7.00 |
0.00 |
0.47 |
0.41 |
14.80 |
- |
11.30 |
4 |
T0203EM002_1
|
si |
abinit+opt |
auto |
no |
refit |
1.98 |
10.53
|
2.46
|
0.00
|
97.25 |
0.50
|
0.00 |
- |
- |
28.28 |
PEE |
1.08 |
1.09 |
2.50 |
2.50 |
0.00 |
0.00 |
24.00 |
22.50 |
0.71 |
0.45 |
27.80 |
- |
5.10 |
5 |
T0203EM002_2
|
si |
not_optim |
auto |
no |
refit |
1.98 |
10.53
|
2.46
|
0.00
|
97.25 |
0.50
|
0.00 |
- |
- |
28.28 |
PEE |
1.25 |
1.10 |
3.50 |
3.00 |
0.00 |
0.00 |
24.00 |
4.50 |
0.71 |
0.41 |
19.60 |
- |
0.00 |
6 |
T0203EM002_3
|
si |
abinit+opt |
auto |
no |
refit |
2.87 |
26.74
|
2.93
|
3.96
|
87.87 |
3.00
|
0.76 |
- |
- |
29.03 |
PEE |
1.05 |
1.10 |
3.00 |
2.50 |
0.00 |
0.00 |
22.50 |
4.00 |
0.71 |
0.46 |
29.00 |
- |
- |
7 |
T0203EM003_1
|
dimaio |
optim |
auto+man |
no |
refit |
0.76 |
0.82
|
0.00
|
0.00
|
99.08 |
0.00
|
0.00 |
- |
- |
0.00 |
PEE |
1.27 |
1.38 |
4.00 |
1.00 |
0.00 |
0.00 |
0.00 |
0.00 |
0.45 |
0.36 |
15.30 |
- |
11.45 |
8 |
T0203EM003_2
|
dimaio |
optim |
auto+man |
no |
refit |
0.68 |
0.54
|
0.00
|
0.00
|
99.08 |
0.00
|
0.00 |
- |
- |
0.00 |
PEE |
1.22 |
1.39 |
4.00 |
1.00 |
0.00 |
0.00 |
0.00 |
0.00 |
0.45 |
0.37 |
7.10 |
- |
11.45 |
9 |
T0203EM004_1
|
cheng |
abinit+opt |
auto+man |
no |
refit |
2.73 |
72.87
|
0.00
|
1.38
|
94.04 |
1.90
|
0.00 |
- |
- |
- |
PEE |
1.23 |
1.35 |
3.00 |
1.00 |
0.00 |
0.00 |
13.50 |
2.00 |
0.45 |
0.37 |
9.50 |
- |
14.05 |
10 |
T0203EM004_2
|
cheng |
abinit+opt |
auto+man |
no |
refit |
1.84 |
9.51
|
0.00
|
0.46
|
95.18 |
1.00
|
0.24 |
- |
- |
- |
PEE |
0.96 |
0.92 |
1.00 |
1.00 |
0.00 |
0.00 |
13.50 |
0.50 |
1.00 |
0.52 |
14.80 |
- |
14.10 |
11 |
T0203EM005_1
|
chiu |
not_optim |
auto+man |
no |
refit |
1.60 |
12.17
|
0.25
|
0.00
|
98.17 |
0.50
|
0.00 |
- |
- |
1.25 |
PEE |
1.14 |
6.21 |
5.00 |
28.00 |
0.00 |
0.00 |
37.00 |
3.00 |
1.00 |
0.02 |
10.10 |
- |
7.50 |
12 |
T0203EM006_1
|
mattbaker |
abinit+opt |
auto+man |
no |
refit |
1.37 |
5.75
|
1.18
|
0.00
|
98.25 |
0.90
|
0.00 |
- |
- |
0.00 |
PEE |
0.89 |
1.10 |
1.00 |
2.00 |
0.00 |
0.00 |
27.00 |
2.00 |
0.86 |
0.49 |
19.60 |
- |
11.65 |
13 |
T0203EM007_1
|
perez |
optim |
auto+man |
no |
optimized |
1.69 |
15.46
|
0.25
|
0.00
|
98.17 |
0.50
|
0.00 |
- |
- |
68.85 |
PEE |
0.97 |
1.10 |
1.50 |
1.00 |
0.00 |
0.00 |
9.00 |
3.00 |
0.45 |
0.47 |
15.90 |
- |
8.40 |
14 |
T0203EM008_1
|
emsley |
optim |
auto+man |
no |
refit |
0.50 |
0.00
|
0.25
|
0.00
|
99.08 |
0.00
|
0.00 |
- |
- |
0.00 |
PEE |
0.96 |
0.39 |
2.00 |
0.00 |
0.00 |
0.00 |
5.00 |
0.00 |
0.73 |
0.64 |
16.20 |
- |
7.10 |
15 |
T0203EM009_1
|
phenix |
optim |
auto+man |
no |
refit |
1.63 |
9.26
|
0.99
|
0.00
|
97.25 |
0.50
|
0.00 |
- |
- |
2.20 |
PEE |
0.90 |
1.27 |
4.00 |
7.00 |
0.00 |
0.00 |
22.00 |
2.50 |
1.00 |
0.45 |
15.90 |
- |
5.40 |
16 |
T0203EM010_1
|
chojnowski |
abinit+opt |
auto+man |
no |
refit |
1.20 |
2.77
|
1.51
|
0.00
|
99.06 |
0.00
|
0.00 |
- |
- |
6.67 |
PEE |
0.54 |
0.38 |
0.00 |
0.00 |
0.00 |
0.00 |
3.00 |
0.00 |
0.47 |
0.77 |
12.20 |
- |
14.30 |
17 |
T0203EM011_1
|
igaev |
abinit+opt |
auto+man |
yes |
optimized |
1.09 |
1.89
|
0.52
|
0.45
|
97.27 |
0.20
|
0.46 |
- |
- |
- |
PEE |
0.76 |
0.62 |
0.00 |
0.00 |
0.00 |
0.00 |
5.00 |
0.00 |
0.45 |
0.64 |
16.50 |
- |
11.10 |
18 |
T0203EM012_1
|
palmer |
optim |
auto+man |
no |
refit |
1.19 |
4.05
|
0.00
|
0.00
|
98.62 |
0.50
|
0.00 |
- |
- |
1.72 |
PEE |
0.80 |
0.47 |
2.00 |
0.00 |
0.00 |
0.00 |
11.00 |
1.00 |
0.51 |
0.67 |
6.80 |
- |
12.60 |
19 |
T0203EM014_1
|
kao |
optim |
manual |
no |
refit |
0.91 |
1.59
|
0.00
|
0.00
|
99.08 |
0.50
|
0.00 |
- |
- |
15.52 |
PEE |
0.83 |
2.07 |
2.00 |
12.00 |
0.00 |
0.00 |
19.00 |
0.00 |
1.00 |
0.31 |
21.60 |
- |
9.65 |
20 |
T0203EM016_1
|
kumar |
optim |
auto+man |
no |
refit |
1.50 |
6.65
|
1.48
|
0.00
|
99.08 |
0.50
|
0.00 |
- |
- |
6.08 |
PEE |
1.16 |
1.26 |
2.00 |
3.00 |
0.00 |
0.00 |
7.00 |
0.00 |
0.45 |
0.40 |
17.00 |
- |
13.75 |
21 |
T0203EM017_1
|
weyand |
optim |
auto |
no |
refit |
0.67 |
0.00
|
0.49
|
0.00
|
97.02 |
0.50
|
0.00 |
- |
- |
- |
- |
- |
- |
- |
- |
- |
- |
- |
- |
- |
- |
0.20 |
- |
4.70 |
22 |
T0203EM7kjr
|
- |
reference |
- |
- |
- |
1.42 |
7.60
|
0.25
|
0.00
|
98.17 |
0.50
|
0.00 |
- |
- |
4.92 |
PEE |
1.23 |
1.35 |
3.00 |
1.00 |
0.00 |
0.00 |
13.50 |
0.00 |
0.45 |
0.37 |
- |
- |
- |
|
|
|