Predicted ligand
sequences


ADAN-name: 1QG12.PDB (view again the scoring matrix)

PDB name: [1QG1.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D D P S y V N V Q N L D K
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala A
A
A
A
y
A
A
A
A
A
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    

(Help)

Intraclash 34.362 ΔGbinding 2.210
TOTAL
36.572
Backbone Hb -3.070 Cis_bond 0.000
Sidechain Hb -6.610 Torsional clash 2.350
Van der Waals -9.280 Backbone clash 5.460
Electrostatics -5.110 Helix dipole 0.000
Solvation Polar 15.680 Water bridges -0.540
Solvation Hyd -9.870 Disulfide 0.000
VdW clashes 11.230 Electrost. Kon -2.490
Entropy sc 4.990 Part.cov.bonds 0.000
Entropy mc

4.920

ΔGstability

242.810

       

Predicted ligand sequences for template [1QG12.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).

 
  1QG12.PDB  

(data)

# Predicted Sequences Value Calculate
1 DDGGGyGGyssps 0.0
2 DDGGGyGGyssss 0.0
3 DDGGGyGGMssps 0.0
4 DDGGGyGGMssss 0.0
5 DDGGGyGGMssEs 0.01
6 DDGGGyGGMDsss 0.01
7 DDGGGyGGMDsps 0.01
8 DDGGGyGGyDsss 0.01
9 DDGGGyGGyDsps 0.01
10 DDGGGyGGyssEs 0.01
11 DDGGGyGGyDsEs 0.02
12 DDGGGyGGysspE 0.02
13 DDGGGyGGysssE 0.02
14 PDGGGyGGyssps 0.02
15 DDGGGyGGypsss 0.02
16 PDGGGyGGyssss 0.02
17 DDGGGyGGMpsss 0.02
18 PDGGGyGGMssps 0.02
19 DDGGGyGGMpsps 0.02
20 DDGGGyGGypsps 0.02
21 DDGGGyGGDssss 0.02
22 DDGGGyGGMsspE 0.02
23 PDGGGyGGMssss 0.02
24 DDGGGyGGMsssE 0.02
25 DDGGGyGGDssps 0.02
26 DDGGGyGGMDsEs 0.02
27 PDGGGyGGMssEs 0.03
28 PDGGGyGGMDsps 0.03
29 DDGGGyGGMssEE 0.03
30 DDGGGyGGyssEE 0.03
31 PDGGGyGGyDsss 0.03
32 DDGGGyGGMDssE 0.03
33 DDGGGyGGMDspE 0.03
34 PDGGGyGGyDsps 0.03
35 DDGGGyGGyspps 0.03
36 DDGGGyGGDDsps 0.03
37 PDGGGyGGyssEs 0.03
38 DDGGGyGGypsEs 0.03
39 DDGGGyGGMspps 0.03
40 DDGGGyGGyDssE 0.03
41 DDGGGyGGDssEs 0.03
42 DDGGGyGGyDspE 0.03
43 DDGGGyGGyspss 0.03
44 DDGGGyGGMspss 0.03
45 DDGGGyGGDDsss 0.03
46 DDGGGyGGMpsEs 0.03
47 PDGGGyGGMDsss 0.03
48 DDGGGyGGyDsEE 0.04
49 DDGGGyGGysspp 0.04
50 DDGGGyGGypssE 0.04
51 PDGGGyGGypsps 0.04
52 PDGGGyGGysspE 0.04
53 PDGGGyGGMpsss 0.04
54 PDGGGyGGyDsEs 0.04
55 PDGGGyGGysssE 0.04
56 PDGGGyGGMpsps 0.04
57 DDGGGyGGDpsps 0.04
58 DDGGGyGGMpssE 0.04
59 PDGGGyGGMsspE 0.04
60 DDGGGyGGMpspE 0.04
61 DDGGGyGGDDsEs 0.04
62 DDGGGyGGDpsss 0.04
63 DDGGGyGGypspE 0.04
64 DDGGGyGGDsssE 0.04
65 PDGGGyGGMsssE 0.04
66 DDGGGyGGMsspp 0.04
67 DDGGGyGGMsssp 0.04
68 DDGGGyGGDsspE 0.04
69 DDGGGyGGMspEs 0.04
70 DDGGGyGGysssp 0.04
71 DDGGGyGGyDpss 0.04
72 DDGGGyGGMDpss 0.04
73 DDGGGyGGMDsEE 0.04
74 DDGGGyGGyspEs 0.04
75 DDGGGyGGyDpps 0.04
76 DDGGGyGGMDpps 0.04
77 PDGGGyGGDssss 0.04
78 PDGGGyGGMDsEs 0.04
79 PDGGGyGGDssps 0.04
80 PDGGGyGGypsss 0.04
81 PDGGGyGGMssEE 0.05
82 DDGGGyGGDpsEs 0.05
83 DDGGGyGGMDpEs 0.05
84 PDGGGyGGMDspE 0.05
85 DDGGGyGGMppss 0.05
86 DDGGGyGGyppss 0.05
87 DDGGGyGGMssEp 0.05
88 PDGGGyGGypsEs 0.05
89 DDGGGyGGDspss 0.05
90 DDGGGyGGMppps 0.05
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

 

(Help)

# Precalculated Models Intraclash ΔGbinding Total
1 PDGGGyGGMssps

8.59

-4.44

4.15

2 DDGGGyGGMssps

9.09

-4.86

4.23

3 DDGGGyGGDssss

8.51

-4.03

4.48

4 DDGGGyGGMDsEs

9.2

-4.62

4.58

5 DDGGGyGGMsssE

8.82

-4.07

4.75

6 PDGGGyGGMssss

8.74

-3.97

4.77

7 DDGGGyGGMssss

9.34

-4.43

4.91

8 DDGGGyGGDssps

8.71

-3.77

4.94

9 DDGGGyGGMDsps

8.61

-3.63

4.98

10 PDGGGyGGMssEs

8.53

-3.49

5.04

11 DDGGGyGGMssEs

8.82

-3.74

5.08

12 PDGGGyGGMDsps

9.35

-4.18

5.17

13 DDGGGyGGMsspE

9.5

-4.31

5.19

14 DDGGGyGGMDsss

8.9

-3.26

5.64

15 DDGGGyGGMpsss

9.15

-3.04

6.11

16 DDGGGyGGMpsps

10.11

-3.92

6.19

17 DDGGGyGGMssEE

10.13

-3.02

7.11

18 PDGGGyGGyssps

14.69

-5.09

9.6

19 DDGGGyGGyDsEs

14.43

-4.64

9.79

20 DDGGGyGGyssEs

14.21

-4.11

10.1

21 DDGGGyGGypsps

14.54

-4.26

10.28

22 PDGGGyGGyssss

14.29

-3.96

10.33

23 DDGGGyGGyssEE

14.56

-4.16

10.4

24 DDGGGyGGyDsps

14.3

-3.81

10.49

25 DDGGGyGGyDsss

14.52

-3.92

10.6

26 DDGGGyGGysspE

14.67

-4.07

10.6

27 DDGGGyGGyssss

14.84

-4.22

10.62

28 DDGGGyGGyssps

14.52

-3.78

10.74

29 DDGGGyGGypsss

14.73

-3.69

11.04

30 DDGGGyGGysssE

15.8

-3.52

12.28

 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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