|
|
|
Model |
Group Name |
EMRinger score |
ab-initio/ optimized |
auto/ man. |
MapID |
Res ol. |
CCC |
SMOC |
box CC |
CC(mask) |
CC(vol) |
CC(peaks) |
Resol.(FSC=0.5) |
Protein |
Ligand (PTQ)
|
LIVQ5
|
LIVQ10
|
MG
|
NA
|
HOH
|
All |
BB |
1 |
T0201EM002_2
|
si
|
not_optim
|
auto
|
emd_7770 |
1.9 |
0.79 |
0.67 |
0.87 |
0.94 |
0.94 |
0.87 |
2.09
|
7.31
|
0.81 |
0.72 |
0.81 |
0.83 |
- |
- |
0.81 |
0.92
|
0.98
|
2 |
T0201EM6cvm
|
-
|
-
|
-
|
emd_7770 |
1.9 |
0.79 |
0.67 |
0.81 |
0.91 |
0.91 |
0.81 |
2.10
|
7.66
|
0.82 |
0.71 |
0.81 |
0.83 |
0.91 |
0.88 |
0.86 |
0.92
|
0.99
|
3 |
T0201EM005_1
|
chiu
|
not_optim
|
auto+man
|
emd_7770 |
1.9 |
0.79 |
0.67 |
0.77 |
0.79 |
0.80 |
0.74 |
2.85
|
7.66
|
0.82 |
0.73 |
0.82 |
0.83 |
0.89 |
0.86 |
0.90 |
0.91
|
0.99
|
4 |
T0201EM005_2
|
chiu
|
not_optim
|
auto+man
|
emd_7770 |
1.9 |
0.79 |
0.67 |
0.77 |
0.79 |
0.80 |
0.74 |
2.85
|
7.66
|
0.82 |
0.81 |
0.83 |
0.84 |
0.89 |
0.86 |
0.90 |
0.91
|
0.99
|
5 |
T0201EM010_1
|
chojnowski
|
abinit+opt
|
auto+man
|
emd_7770 |
1.9 |
0.78 |
0.67 |
0.84 |
0.92 |
0.92 |
0.83 |
2.10
|
7.00
|
0.81 |
0.69 |
0.80 |
0.81 |
0.90 |
- |
0.93 |
0.92
|
0.98
|
6 |
T0201EM006_1
|
mattbaker
|
abinit+opt
|
auto+man
|
emd_7770 |
1.9 |
0.78 |
0.67 |
0.84 |
0.91 |
0.91 |
0.84 |
2.10
|
6.43
|
0.81 |
0.79 |
0.83 |
0.82 |
0.89 |
0.88 |
0.85 |
0.91
|
0.98
|
7 |
T0201EM009_1
|
phenix
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.78 |
0.67 |
0.87 |
0.93 |
0.93 |
0.87 |
2.09
|
6.45
|
0.81 |
0.78 |
0.82 |
0.83 |
0.89 |
0.89 |
0.92 |
0.91
|
0.98
|
8 |
T0201EM011_1
|
igaev
|
abinit+opt
|
auto+man
|
emd_7770 |
1.9 |
0.77 |
0.63 |
0.75 |
0.72 |
0.78 |
0.71 |
2.15
|
7.11
|
0.79 |
0.64 |
0.76 |
0.79 |
0.87 |
0.86 |
- |
0.54
|
0.98
|
9 |
T0201EM015_1
|
schroeder
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.77 |
0.63 |
0.73 |
0.70 |
0.77 |
0.70 |
2.17
|
6.98
|
0.78 |
0.77 |
0.82 |
0.79 |
0.70 |
0.90 |
0.80 |
0.53
|
0.97
|
10 |
T0201EM002_1
|
si
|
abinit+opt
|
auto
|
emd_7770 |
1.9 |
0.73 |
0.62 |
0.82 |
0.86 |
0.85 |
0.80 |
2.20
|
3.32
|
0.71 |
0.55 |
0.68 |
0.69 |
- |
- |
0.64 |
0.84
|
0.94
|
11 |
T0201EM007_1
|
perez
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.72 |
0.58 |
- |
- |
- |
- |
-
|
-
|
0.73 |
0.31 |
0.52 |
0.73 |
0.66 |
0.57 |
0.53 |
0.55
|
0.93
|
12 |
T0201EM004_1
|
cheng
|
abinit+opt
|
auto+man
|
emd_7770 |
1.9 |
0.69 |
0.58 |
0.62 |
0.59 |
0.68 |
0.57 |
2.76
|
3.46
|
0.65 |
0.71 |
0.57 |
0.66 |
0.89 |
0.87 |
- |
-
|
-
|
13 |
T0201EM002_3
|
si
|
abinit+opt
|
auto
|
emd_7770 |
1.9 |
0.65 |
0.55 |
0.74 |
0.74 |
0.74 |
0.69 |
2.69
|
1.99
|
0.58 |
0.60 |
0.29 |
0.47 |
- |
- |
0.34 |
0.72
|
0.92
|
14 |
T0201EM004_2
|
cheng
|
abinit+opt
|
auto+man
|
emd_7770 |
1.9 |
0.45 |
0.34 |
0.36 |
0.27 |
0.39 |
0.25 |
8.20
|
0.64
|
0.26 |
0.45 |
0.52 |
0.53 |
0.54 |
0.57 |
- |
0.37
|
0.57
|
15 |
T0201EM003_2
|
dimaio
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.39 |
0.67 |
0.58 |
0.87 |
0.85 |
0.47 |
2.09
|
7.60
|
0.82 |
0.71 |
0.82 |
0.83 |
0.87 |
0.88 |
0.88 |
0.55
|
0.99
|
16 |
T0201EM003_1
|
dimaio
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.39 |
0.67 |
0.52 |
0.87 |
0.85 |
0.37 |
2.10
|
7.62
|
0.82 |
0.71 |
0.82 |
0.83 |
0.87 |
0.87 |
0.89 |
0.55
|
0.99
|
17 |
T0201EM003_3
|
dimaio
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.39 |
0.67 |
0.57 |
0.86 |
0.84 |
0.46 |
2.10
|
7.63
|
0.82 |
0.03 |
0.66 |
0.80 |
0.85 |
0.66 |
0.88 |
0.54
|
0.99
|
18 |
T0201EM012_1
|
palmer
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.39 |
0.68 |
0.57 |
0.95 |
0.94 |
0.40 |
2.08
|
7.45
|
0.82 |
0.81 |
0.84 |
0.84 |
0.90 |
0.91 |
0.85 |
0.92
|
0.98
|
19 |
T0201EM001_2
|
kihara
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.39 |
0.65 |
0.46 |
0.67 |
0.67 |
0.33 |
2.28
|
7.57
|
0.81 |
0.65 |
0.80 |
0.82 |
0.64 |
0.49 |
0.32 |
-
|
-
|
20 |
T0201EM014_1
|
kao
|
optim
|
manual
|
emd_7770 |
1.9 |
0.39 |
0.65 |
0.50 |
0.89 |
0.89 |
0.29 |
2.10
|
7.22
|
0.81 |
0.82 |
0.83 |
0.83 |
0.91 |
0.89 |
0.86 |
0.64
|
0.98
|
21 |
T0201EM001_3
|
kihara
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.39 |
0.65 |
0.46 |
0.67 |
0.68 |
0.34 |
2.27
|
7.51
|
0.81 |
0.62 |
0.79 |
0.82 |
0.73 |
0.90 |
0.34 |
-
|
-
|
22 |
T0201EM013_1
|
singharoy
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.39 |
0.65 |
0.49 |
0.71 |
0.72 |
0.38 |
2.17
|
7.44
|
0.81 |
0.63 |
0.79 |
0.82 |
0.56 |
0.91 |
0.48 |
-
|
-
|
23 |
T0201EM008_1
|
emsley
|
optim
|
auto+man
|
emd_7770 |
1.9 |
0.38 |
0.64 |
- |
- |
- |
- |
-
|
6.89
|
- |
- |
- |
- |
- |
- |
- |
0.54
|
0.98
|
24 |
T0201EM001_1
|
kihara
|
abinit+opt
|
auto+man
|
emd_7770 |
1.9 |
0.37 |
0.61 |
0.43 |
0.62 |
0.64 |
0.30 |
2.58
|
5.18
|
0.74 |
0.33 |
0.58 |
0.63 |
- |
- |
0.17 |
-
|
-
|
|
|
|