|
|
|
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 |
T0202EM001_1
|
kihara |
optim |
auto+man |
no |
optimized |
0.59 |
0.24
|
0.45
|
0.00
|
98.00 |
1.30
|
0.51 |
0.00 |
92.00 |
0.00 |
F86 |
1.30 |
1.13 |
3.00 |
1.00 |
0.00 |
0.00 |
0.00 |
0.00 |
1.00 |
0.40 |
6.40 |
- |
3.56 |
2 |
T0202EM001_2
|
kihara |
optim |
auto+man |
no |
optimized |
0.93 |
0.95
|
0.94
|
0.10
|
97.20 |
1.30
|
0.41 |
- |
88.00 |
- |
F86 |
1.27 |
1.22 |
3.00 |
1.00 |
0.00 |
0.00 |
2.00 |
0.00 |
1.00 |
0.39 |
5.50 |
- |
0.00 |
3 |
T0202EM002_1
|
si |
abinit+opt |
auto |
no |
refit |
2.55 |
19.15
|
2.45
|
2.64
|
92.37 |
3.50
|
0.96 |
- |
- |
46.23 |
F86 |
2.29 |
5.86 |
6.00 |
8.00 |
0.00 |
0.00 |
2.00 |
7.00 |
1.00 |
0.01 |
- |
- |
0.00 |
4 |
T0202EM002_2
|
si |
not_optim |
auto |
no |
refit |
2.27 |
11.58
|
3.50
|
0.20
|
96.00 |
1.30
|
0.51 |
0.00 |
0.00 |
42.47 |
F86 |
1.85 |
5.37 |
7.00 |
9.00 |
0.00 |
0.00 |
2.00 |
3.00 |
1.00 |
0.02 |
8.00 |
- |
6.13 |
5 |
T0202EM003_1
|
dimaio |
optim |
auto+man |
no |
refit |
0.85 |
1.30
|
0.00
|
0.10
|
99.20 |
0.90
|
0.41 |
0.00 |
0.00 |
0.00 |
F86 |
2.24 |
1.31 |
7.00 |
3.00 |
0.00 |
0.00 |
0.00 |
1.00 |
1.00 |
0.20 |
4.70 |
- |
6.50 |
6 |
T0202EM003_2
|
dimaio |
optim |
auto+man |
no |
refit |
2.27 |
62.30
|
0.66
|
0.23
|
99.20 |
0.80
|
0.23 |
- |
0.00 |
0.28 |
F86 |
2.22 |
1.29 |
6.00 |
2.00 |
0.00 |
0.00 |
0.00 |
1.00 |
1.00 |
0.21 |
4.90 |
- |
7.06 |
7 |
T0202EM004_1
|
cheng |
abinit+opt |
auto+man |
no |
refit |
3.05 |
101.77
|
0.22
|
3.50
|
88.89 |
5.50
|
0.51 |
0.00 |
0.00 |
- |
F86 |
1.61 |
1.25 |
4.00 |
3.00 |
0.00 |
0.00 |
2.00 |
4.00 |
1.00 |
0.32 |
6.70 |
- |
6.38 |
8 |
T0202EM004_2
|
cheng |
abinit+opt |
auto+man |
no |
refit |
2.13 |
22.72
|
0.11
|
0.60
|
95.90 |
3.50
|
1.13 |
0.00 |
4.00 |
- |
F86 |
1.60 |
1.25 |
4.00 |
3.00 |
0.00 |
0.00 |
2.00 |
19.00 |
1.00 |
0.32 |
6.70 |
- |
5.44 |
9 |
T0202EM005_1
|
chiu |
not_optim |
auto+man |
no |
refit |
1.35 |
6.31
|
0.00
|
0.00
|
98.70 |
1.00
|
0.41 |
0.00 |
0.00 |
1.44 |
F86 |
1.84 |
3.65 |
4.00 |
8.00 |
0.00 |
0.00 |
1.00 |
4.00 |
1.00 |
0.05 |
7.00 |
- |
5.63 |
10 |
T0202EM006_1
|
mattbaker |
abinit+opt |
auto+man |
no |
refit |
1.69 |
2.97
|
3.14
|
0.00
|
96.50 |
2.70
|
0.61 |
- |
0.00 |
1.88 |
F86 |
1.19 |
0.76 |
3.00 |
1.00 |
0.00 |
0.00 |
1.00 |
0.00 |
1.00 |
0.50 |
7.30 |
- |
5.69 |
11 |
T0202EM007_1
|
perez |
optim |
manual |
no |
optimized |
1.62 |
2.54
|
1.79
|
0.60
|
94.33 |
2.10
|
1.40 |
- |
0.00 |
0.00 |
F86 |
1.85 |
1.63 |
6.00 |
3.00 |
0.00 |
0.00 |
1.00 |
1.00 |
1.00 |
0.21 |
2.80 |
- |
5.63 |
12 |
T0202EM008_1
|
emsley |
optim |
auto+man |
no |
refit |
0.61 |
0.12
|
0.45
|
0.00
|
97.70 |
1.20
|
0.41 |
0.00 |
0.00 |
0.00 |
F86 |
1.20 |
0.54 |
2.00 |
0.00 |
0.00 |
0.00 |
0.00 |
0.00 |
1.00 |
0.55 |
6.80 |
- |
5.06 |
13 |
T0202EM009_1
|
phenix |
optim |
auto+man |
no |
refit |
1.63 |
5.87
|
2.58
|
0.00
|
98.60 |
1.10
|
0.41 |
0.00 |
0.00 |
7.83 |
F86 |
1.14 |
0.73 |
3.00 |
1.00 |
0.00 |
0.00 |
3.00 |
0.00 |
1.00 |
0.52 |
7.20 |
- |
5.06 |
14 |
T0202EM010_1
|
chojnowski |
abinit+opt |
auto+man |
no |
refit |
1.47 |
2.45
|
3.82
|
0.00
|
98.04 |
1.00
|
0.42 |
0.00 |
0.00 |
- |
F86 |
1.27 |
0.63 |
3.00 |
0.00 |
0.00 |
0.00 |
3.00 |
0.00 |
1.00 |
0.51 |
7.90 |
- |
7.06 |
15 |
T0202EM011_1
|
igaev |
abinit+opt |
auto+man |
yes |
optimized |
1.74 |
2.49
|
2.58
|
0.30
|
94.09 |
1.10
|
0.51 |
0.00 |
0.00 |
- |
F86 |
2.16 |
1.96 |
9.00 |
5.00 |
0.00 |
0.00 |
2.00 |
0.00 |
1.00 |
0.13 |
3.50 |
- |
5.19 |
16 |
T0202EM012_1
|
palmer |
optim |
auto+man |
no |
optimized |
1.76 |
4.35
|
3.50
|
0.20
|
97.30 |
1.60
|
0.51 |
0.00 |
0.00 |
0.00 |
F86 |
1.25 |
1.18 |
1.00 |
2.00 |
0.00 |
0.00 |
3.00 |
0.00 |
1.00 |
0.40 |
7.00 |
- |
6.56 |
17 |
T0202EM013_1
|
singharoy |
optim |
auto+man |
no |
refit |
0.75 |
0.23
|
1.34
|
0.00
|
97.70 |
1.20
|
0.30 |
0.00 |
0.00 |
6.67 |
F86 |
2.01 |
1.89 |
8.00 |
6.00 |
0.00 |
0.00 |
5.00 |
0.00 |
1.00 |
0.16 |
8.00 |
- |
4.31 |
18 |
T0202EM7bv2
|
- |
reference |
- |
- |
- |
1.30 |
5.48
|
0.00
|
0.00
|
98.70 |
1.00
|
0.41 |
0.00 |
0.00 |
0.00 |
F86 |
1.61 |
1.25 |
4.00 |
3.00 |
0.00 |
0.00 |
2.00 |
0.00 |
0.96 |
0.32 |
- |
- |
- |
|
|
|