Predicted ligand sequences


ADAN-name: 1FPR2.PDB (view again the scoring matrix)

PDB name: [1FPR.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E D T L T y A D L D
position 1 2 3 4 5 6 7 8 9 10
poly-Ala A
A
 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 30.636 ΔGbinding 43.540
TOTAL
 74.176
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -4.400 Torsional clash 4.539
Van der Waals -12.264 Backbone clash 3.602
Electrostatics -5.088 Helix dipole -0.044
Solvation Polar 21.577 Water bridges -0.159
Solvation Hyd -15.148 Disulfide 0.000
VdW clashes 45.789 Electrost. Kon -3.475
Entropy sc 3.324 Part.cov.bonds 0.000
Entropy mc

9.777

 ΔGstability

296.376
       

Predicted ligand sequences for template [1FPR2.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).
 
  1FPR2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yEDGGGGGGE 0.0
2 yEDGWGGGGE 0.1
3 yEGGGGGGGE 0.12
4 FEDGGGGGGE 0.22
5 yEGGWGGGGE 0.23
6 DEDGGGGGGE 0.26
7 yEDyGGGGGE 0.29
8 yENGGGGGGE 0.3
9 FEDGWGGGGE 0.33
10 EEDGGGGGGE 0.34
11 FEGGGGGGGE 0.35
12 DEDGWGGGGE 0.36
13 DEGGGGGGGE 0.38
14 yEDyWGGGGE 0.39
15 yENGWGGGGE 0.4
16 yEGyGGGGGE 0.42
17 EEDGWGGGGE 0.44
18 FEGGWGGGGE 0.45
19 EEGGGGGGGE 0.46
20 DEGGWGGGGE 0.48
21 yRDGGGGGGE 0.5
22 FEDyGGGGGE 0.52
23 yEGyWGGGGE 0.52
24 FENGGGGGGE 0.53
25 DEDyGGGGGE 0.55
26 DENGGGGGGE 0.56
27 EEGGWGGGGE 0.56
28 yENyGGGGGE 0.59
29 yRDGWGGGGE 0.6
30 FEDyWGGGGE 0.62
31 yRGGGGGGGE 0.62
32 EEDyGGGGGE 0.63
33 FENGWGGGGE 0.63
34 FEGyGGGGGE 0.64
35 EENGGGGGGE 0.64
36 DEDyWGGGGE 0.65
37 DENGWGGGGE 0.66
38 DEGyGGGGGE 0.67
39 yENyWGGGGE 0.69
40 yRGGWGGGGE 0.72
41 FRDGGGGGGE 0.72
42 EEDyWGGGGE 0.73
43 FEGyWGGGGE 0.74
44 EENGWGGGGE 0.74
45 EEGyGGGGGE 0.75
46 DRDGGGGGGE 0.75
47 DEGyWGGGGE 0.77
48 yRDyGGGGGE 0.79
49 yRNGGGGGGE 0.8
50 FENyGGGGGE 0.82
51 FRDGWGGGGE 0.82
52 ERDGGGGGGE 0.83
53 FRGGGGGGGE 0.84
54 DENyGGGGGE 0.85
55 EEGyWGGGGE 0.85
56 DRDGWGGGGE 0.85
57 DRGGGGGGGE 0.88
58 yRDyWGGGGE 0.89
59 yRNGWGGGGE 0.9
60 yRGyGGGGGE 0.91
61 FENyWGGGGE 0.92
62 EENyGGGGGE 0.93
63 ERDGWGGGGE 0.93
64 FRGGWGGGGE 0.95
65 DENyWGGGGE 0.95
66 ERGGGGGGGE 0.96
67 DRGGWGGGGE 0.98
68 yRGyWGGGGE 1.01
69 FRDyGGGGGE 1.01
70 FRNGGGGGGE 1.02
71 EENyWGGGGE 1.03
72 DRDyGGGGGE 1.05
73 DRNGGGGGGE 1.05
74 ERGGWGGGGE 1.06
75 yRNyGGGGGE 1.09
76 FRDyWGGGGE 1.12
77 FRNGWGGGGE 1.12
78 ERDyGGGGGE 1.13
79 ERNGGGGGGE 1.13
80 FRGyGGGGGE 1.14
81 DRDyWGGGGE 1.15
82 DRNGWGGGGE 1.16
83 DRGyGGGGGE 1.17
84 yRNyWGGGGE 1.19
85 ERNGWGGGGE 1.23
86 ERDyWGGGGE 1.23
87 FRGyWGGGGE 1.24
88 ERGyGGGGGE 1.25
89 DRGyWGGGGE 1.27
90 FRNyGGGGGE 1.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yEGGWGGGGE

9.43

7.49

16.92
2 EEGGWGGGGE

10.13

6.97

17.1
3 EEDGWGGGGE

9.56

7.76

17.32
4 DEDGWGGGGE

10.15

7.2

17.35
5 yEDGWGGGGE

9.57

7.79

17.36
6 FEDGWGGGGE

10.12

7.28

17.4
7 EEDGGGGGGE

10.12

7.55

17.67
8 yEDGGGGGGE

9.52

8.15

17.67
9 yENGWGGGGE

9.3

8.62

17.92
10 yENGGGGGGE

9.42

8.76

18.18
11 FENGGGGGGE

9.74

8.51

18.25
12 FEDGGGGGGE

9.14

9.11

18.25
13 DEDGGGGGGE

9.1

9.18

18.28
14 FEDyWGGGGE

10.04

8.38

18.42
15 DEGGWGGGGE

9.5

8.94

18.44
16 FEDyGGGGGE

10.02

8.44

18.46
17 EEGGGGGGGE

9.48

9.05

18.53
18 yEDyWGGGGE

9.87

8.67

18.54
19 FEGGGGGGGE

9.26

9.29

18.55
20 DENGGGGGGE

9.43

9.17

18.6
21 DEDyGGGGGE

10.11

8.93

19.04
22 DEGGGGGGGE

9.48

9.57

19.05
23 yEGyWGGGGE

10.58

8.66

19.24
24 yEDyGGGGGE

10.2

9.05

19.25
25 FEGGWGGGGE

9.88

9.44

19.32
26 yEGGGGGGGE

9.8

9.87

19.67
27 yENyGGGGGE

9.7

10.01

19.71
28 yRDGWGGGGE

10.32

9.65

19.97
29 yRDGGGGGGE

11.29

8.9

20.19
30 yEGyGGGGGE

10.03

10.8

20.83

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER