Predicted ligand sequences


ADAN-name: 2ETZ2.PDB (view again the scoring matrix)

PDB name: [2ETZ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A D y E P P
position 1 2 3 4 5 6
poly-Ala A A
y
A
 A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 30.941 ΔGbinding 0.880
TOTAL
 31.821
Backbone Hb -1.860 Cis_bond 0.000
Sidechain Hb -5.460 Torsional clash 1.080
Van der Waals -8.290 Backbone clash 1.830
Electrostatics -3.620 Helix dipole 0.000
Solvation Polar 13.350 Water bridges -1.080
Solvation Hyd -9.220 Disulfide 0.000
VdW clashes 10.400 Electrost. Kon -2.830
Entropy sc 5.630 Part.cov.bonds 0.000
Entropy mc

2.770

 ΔGstability

275.680
       

Predicted ligand sequences for template [2ETZ2.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  2ETZ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ssMDDG 0.0
2 ssMDNG 0.24
3 ssMDQG 0.28
4 EsMDDG 0.37
5 ssMDGG 0.39
6 ssMDEG 0.41
7 psMDDG 0.41
8 DsMDDG 0.46
9 ssMEDG 0.49
10 sDMDDG 0.5
11 ssGDDG 0.51
12 sEMDDG 0.53
13 PsMDDG 0.55
14 EsMDNG 0.61
15 EsMDQG 0.65
16 psMDNG 0.65
17 psMDQG 0.69
18 DsMDNG 0.7
19 DsMDQG 0.74
20 ssMENG 0.74
21 sDMDNG 0.75
22 ssGDNG 0.75
23 EsMDGG 0.76
24 sEMDNG 0.77
25 ssMEQG 0.78
26 EsMDEG 0.78
27 sDMDQG 0.79
28 ssGDQG 0.79
29 PsMDNG 0.79
30 psMDGG 0.8
31 sEMDQG 0.81
32 psMDEG 0.82
33 PsMDQG 0.83
34 DsMDGG 0.85
35 EsMEDG 0.86
36 DsMDEG 0.87
37 EDMDDG 0.87
38 ssMEGG 0.88
39 EsGDDG 0.88
40 sDMDGG 0.89
41 psMEDG 0.9
42 EEMDDG 0.9
43 ssGDGG 0.9
44 pDMDDG 0.91
45 ssMEEG 0.91
46 sDMDEG 0.92
47 ssGDEG 0.92
48 psGDDG 0.92
49 sEMDGG 0.92
50 pEMDDG 0.94
51 PsMDGG 0.94
52 sEMDEG 0.94
53 DsMEDG 0.95
54 PsMDEG 0.96
55 DDMDDG 0.96
56 DsGDDG 0.97
57 DEMDDG 0.99
58 ssGEDG 1.0
59 sDMEDG 1.0
60 sDGDDG 1.01
61 sEMEDG 1.02
62 PsMEDG 1.04
63 sEGDDG 1.04
64 PDMDDG 1.05
65 PsGDDG 1.06
66 PEMDDG 1.08
67 EsMENG 1.11
68 EDMDNG 1.12
69 EsGDNG 1.12
70 EEMDNG 1.14
71 EsMEQG 1.15
72 psMENG 1.15
73 EsGDQG 1.16
74 EDMDQG 1.16
75 psGDNG 1.16
76 pDMDNG 1.16
77 EEMDQG 1.18
78 pEMDNG 1.18
79 psMEQG 1.19
80 pDMDQG 1.19
81 psGDQG 1.2
82 DsMENG 1.2
83 DsGDNG 1.21
84 DDMDNG 1.21
85 pEMDQG 1.22
86 DsMEQG 1.23
87 DEMDNG 1.23
88 sDMENG 1.24
89 DsGDQG 1.25
90 ssGENG 1.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sEMDNG

11.6

-2.89

8.71
2 ssMDNG

11.17

-2.41

8.76
3 sEMDDG

11.17

-2.12

9.05
4 ssGDQG

10.22

-0.78

9.44
5 sDMDDG

11.15

-1.68

9.47
6 ssMENG

11.57

-1.53

10.04
7 ssGDDG

10.51

-0.38

10.13
8 ssMEDG

11.22

-1.08

10.14
9 EsMDEG

12.85

-2.57

10.28
10 psMDQG

13.67

-2.95

10.72
11 PsMDDG

13.65

-2.89

10.76
12 sDMDNG

13.01

-2.17

10.84
13 ssMDEG

13.32

-2.37

10.95
14 EsMDNG

13.46

-2.51

10.95
15 sDMDQG

13.52

-2.56

10.96
16 DsMDQG

13.89

-2.87

11.02
17 PsMDNG

13.55

-2.47

11.08
18 psMDDG

13.73

-2.4

11.33
19 EsMDQG

13.11

-1.66

11.45
20 EsMDDG

13.78

-2.2

11.58
21 ssMDQG

13.35

-1.77

11.58
22 EsMDGG

13.14

-1.56

11.58
23 ssGDNG

13.98

-2.39

11.59
24 ssMDDG

14.92

-3.27

11.65
25 DsMDDG

13.18

-1.22

11.96
26 psMDGG

13.66

-1.6

12.06
27 ssMDGG

14.91

-2.78

12.13
28 psMDNG

13.44

-1.09

12.35
29 DsMDNG

13.39

-0.77

12.62
30 ssMEQG

14.54

-1.74

12.8

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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