|
|
|
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 (F86)
|
LIVQ5
|
LIVQ10
|
POP
|
MG
|
ZN
|
HOH
|
All |
BB |
confal |
confal_perc |
RMSD |
1 |
T0202EM002_2
|
si
|
not_optim
|
auto
|
emd_30210 |
2.5 |
0.60 |
0.60 |
0.72 |
0.84 |
0.82 |
0.72 |
2.67
|
4.19
|
0.73 |
0.68 |
0.73 |
0.75 |
- |
- |
- |
0.66 |
0.82
|
0.88
|
59 |
78.30 |
0.27 |
2 |
T0202EM012_1
|
palmer
|
optim
|
auto+man
|
emd_30210 |
2.5 |
0.59 |
0.60 |
0.72 |
0.86 |
0.84 |
0.74 |
2.58
|
4.35
|
0.73 |
0.68 |
0.72 |
0.74 |
0.56 |
0.84 |
0.79 |
0.85 |
0.82
|
0.87
|
65 |
87.80 |
0.24 |
3 |
T0202EM009_1
|
phenix
|
optim
|
auto+man
|
emd_30210 |
2.5 |
0.59 |
0.60 |
0.72 |
0.84 |
0.82 |
0.73 |
2.62
|
3.97
|
0.73 |
0.71 |
0.74 |
0.75 |
0.57 |
- |
0.80 |
0.85 |
0.82
|
0.87
|
72 |
94.60 |
0.19 |
4 |
T0202EM7bv2
|
-
|
-
|
-
|
emd_30210 |
2.5 |
0.59 |
0.60 |
0.77 |
0.83 |
0.82 |
0.77 |
2.68
|
4.56
|
0.72 |
0.74 |
0.73 |
0.74 |
0.61 |
0.89 |
0.73 |
0.85 |
0.81
|
0.87
|
64 |
86.40 |
0.23 |
5 |
T0202EM005_1
|
chiu
|
not_optim
|
auto+man
|
emd_30210 |
2.5 |
0.59 |
0.60 |
0.76 |
0.82 |
0.81 |
0.77 |
2.77
|
4.56
|
0.72 |
0.68 |
0.72 |
0.74 |
0.56 |
- |
0.81 |
0.83 |
0.81
|
0.87
|
64 |
86.40 |
0.23 |
6 |
T0202EM006_1
|
mattbaker
|
abinit+opt
|
auto+man
|
emd_30210 |
2.5 |
0.59 |
0.59 |
- |
- |
- |
- |
-
|
-
|
0.72 |
0.69 |
0.71 |
0.73 |
- |
0.88 |
0.81 |
0.84 |
0.81
|
0.86
|
73 |
95.20 |
0.20 |
7 |
T0202EM013_1
|
singharoy
|
optim
|
auto+man
|
emd_30210 |
2.5 |
0.58 |
0.59 |
0.73 |
0.75 |
0.76 |
0.71 |
2.85
|
4.77
|
0.71 |
0.59 |
0.67 |
0.72 |
0.01 |
0.40 |
- |
0.32 |
0.80
|
0.87
|
64 |
86.40 |
0.24 |
8 |
T0202EM010_1
|
chojnowski
|
abinit+opt
|
auto+man
|
emd_30210 |
2.5 |
0.58 |
0.59 |
0.69 |
0.81 |
0.79 |
0.69 |
2.67
|
4.02
|
0.72 |
0.68 |
0.73 |
0.74 |
- |
- |
- |
- |
0.82
|
0.88
|
77 |
97.20 |
0.18 |
9 |
T0202EM003_1
|
dimaio
|
optim
|
auto+man
|
emd_30210 |
2.5 |
0.58 |
0.57 |
0.76 |
0.83 |
0.82 |
0.77 |
2.66
|
5.12
|
0.72 |
0.68 |
0.75 |
0.77 |
0.53 |
0.68 |
0.84 |
0.65 |
0.50
|
0.88
|
61 |
81.80 |
0.23 |
10 |
T0202EM003_2
|
dimaio
|
optim
|
auto+man
|
emd_30210 |
2.5 |
0.58 |
0.52 |
0.75 |
0.83 |
0.82 |
0.76 |
2.66
|
5.19
|
0.71 |
0.68 |
0.70 |
0.74 |
0.51 |
0.72 |
0.83 |
0.73 |
0.50
|
0.87
|
62 |
83.30 |
0.23 |
11 |
T0202EM008_1
|
emsley
|
optim
|
auto+man
|
emd_30210 |
2.5 |
0.57 |
0.55 |
0.65 |
0.79 |
0.79 |
0.66 |
2.60
|
5.07
|
0.72 |
0.63 |
0.71 |
0.74 |
0.48 |
0.80 |
0.85 |
0.84 |
0.48
|
0.87
|
70 |
93.20 |
0.23 |
12 |
T0202EM011_1
|
igaev
|
abinit+opt
|
auto+man
|
emd_30210 |
2.5 |
0.57 |
0.55 |
0.70 |
0.73 |
0.74 |
0.68 |
2.93
|
4.07
|
0.69 |
0.56 |
0.64 |
0.69 |
0.34 |
0.52 |
0.82 |
- |
0.48
|
0.87
|
63 |
84.80 |
0.22 |
13 |
T0202EM001_1
|
kihara
|
optim
|
auto+man
|
emd_30210 |
2.5 |
0.56 |
0.54 |
- |
- |
- |
- |
-
|
4.60
|
0.70 |
0.61 |
0.66 |
0.71 |
0.48 |
- |
0.75 |
0.55 |
0.48
|
0.85
|
71 |
93.90 |
0.26 |
14 |
T0202EM002_1
|
si
|
abinit+opt
|
auto
|
emd_30210 |
2.5 |
0.56 |
0.60 |
0.71 |
0.81 |
0.78 |
0.70 |
2.70
|
3.80
|
0.70 |
- |
0.42 |
0.67 |
- |
- |
- |
0.61 |
0.80
|
0.86
|
- |
- |
- |
15 |
T0202EM007_1
|
perez
|
optim
|
manual
|
emd_30210 |
2.5 |
0.56 |
0.49 |
- |
- |
- |
- |
-
|
3.81
|
0.66 |
0.57 |
0.59 |
0.66 |
0.24 |
0.12 |
0.65 |
0.35 |
-
|
-
|
49 |
57.30 |
0.29 |
16 |
T0202EM001_2
|
kihara
|
optim
|
auto+man
|
emd_30210 |
2.5 |
0.54 |
0.52 |
- |
- |
- |
- |
-
|
3.98
|
0.65 |
0.59 |
0.65 |
0.67 |
0.03 |
0.15 |
- |
- |
-
|
-
|
65 |
87.80 |
0.29 |
17 |
T0202EM004_1
|
cheng
|
abinit+opt
|
auto+man
|
emd_30210 |
2.5 |
0.53 |
0.56 |
0.64 |
0.65 |
0.66 |
0.59 |
3.12
|
1.42
|
0.61 |
0.74 |
0.66 |
0.66 |
0.61 |
0.89 |
0.72 |
- |
-
|
-
|
64 |
86.40 |
0.23 |
18 |
T0202EM004_2
|
cheng
|
abinit+opt
|
auto+man
|
emd_30210 |
2.5 |
0.42 |
0.38 |
0.46 |
0.45 |
0.47 |
0.38 |
4.18
|
1.16
|
0.39 |
0.50 |
0.31 |
0.39 |
0.40 |
0.66 |
0.51 |
- |
0.41
|
0.65
|
34 |
27.80 |
0.38 |
|
|
|