Predicted ligand sequences


ADAN-name: 2PLE2.PDB (view again the scoring matrix)

PDB name: [2PLE.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D N D y I I P L P D P K
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala 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    

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Intraclash 28.984 ΔGbinding 3.170
TOTAL
 32.154
Backbone Hb -0.180 Cis_bond 0.000
Sidechain Hb -1.280 Torsional clash 2.100
Van der Waals -13.920 Backbone clash 10.180
Electrostatics -5.370 Helix dipole 0.000
Solvation Polar 16.930 Water bridges -1.300
Solvation Hyd -17.330 Disulfide 0.000
VdW clashes 12.940 Electrost. Kon -3.820
Entropy sc 5.310 Part.cov.bonds 0.000
Entropy mc

9.080

 ΔGstability

190.680
       

Predicted ligand sequences for template [2PLE2.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).
 
  2PLE2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yGGGDyPHsGGG 0.0
2 yGGGsyPHsGGG 0.03
3 yGGGDWPHsGGG 0.04
4 sGGGDyPHsGGG 0.04
5 yGGGDsPHsGGG 0.04
6 yGGGssPHsGGG 0.07
7 sGGGsyPHsGGG 0.07
8 yGGGsWPHsGGG 0.07
9 sGGGDWPHsGGG 0.08
10 sGGGDsPHsGGG 0.08
11 yGGGDyGHsGGG 0.09
12 sGGGssPHsGGG 0.11
13 sGGGsWPHsGGG 0.11
14 yGGGsyGHsGGG 0.12
15 sGGGDyGHsGGG 0.13
16 yGGGDsGHsGGG 0.13
17 yGGGDWGHsGGG 0.13
18 sGGGsyGHsGGG 0.16
19 yGGGssGHsGGG 0.16
20 yGGGsWGHsGGG 0.16
21 sGGGDWGHsGGG 0.17
22 sGGGDsGHsGGG 0.17
23 EGGGDyPHsGGG 0.18
24 sGGGsWGHsGGG 0.2
25 sGGGssGHsGGG 0.2
26 EGGGsyPHsGGG 0.21
27 EGGGDsPHsGGG 0.22
28 EGGGDWPHsGGG 0.22
29 yGGGDyPHPGGG 0.23
30 EGGGsWPHsGGG 0.25
31 EGGGssPHsGGG 0.25
32 yGGGEyPHsGGG 0.26
33 yGGGDyPHsGyG 0.27
34 EGGGDyGHsGGG 0.27
35 yGGGDsPHPGGG 0.27
36 yGGGDWPHPGGG 0.27
37 ysGGDyPHsGGG 0.27
38 yGGGsyPHPGGG 0.27
39 sGGGDyPHPGGG 0.28
40 yGGGDyPHsGDG 0.29
41 yGGGsyPHsGyG 0.3
42 EGGGDsGHsGGG 0.3
43 yGGGEsPHsGGG 0.3
44 ysGGsyPHsGGG 0.3
45 yGGGDsPHsGyG 0.3
46 EGGGsyGHsGGG 0.3
47 yGGGssPHPGGG 0.3
48 yGGGEWPHsGGG 0.3
49 sGGGsyPHPGGG 0.31
50 yGGGDWPHsGyG 0.31
51 ssGGDyPHsGGG 0.31
52 sGGGEyPHsGGG 0.31
53 ysGGDWPHsGGG 0.31
54 sGGGDsPHPGGG 0.31
55 yGGGsWPHPGGG 0.31
56 ysGGDsPHsGGG 0.31
57 sGGGDyPHsGyG 0.31
58 EGGGDWGHsGGG 0.31
59 yGGGsyPHsGDG 0.32
60 yGGGDyGHPGGG 0.32
61 sGGGDWPHPGGG 0.32
62 yGGGDyPHsEGG 0.32
63 EGGGssGHsGGG 0.33
64 yGGGDyPHspGG 0.33
65 yGGGDsPHsGDG 0.33
66 yGGGDWPHsGDG 0.33
67 sGGGDyPHsGDG 0.33
68 sGGGEsPHsGGG 0.34
69 EGGGsWGHsGGG 0.34
70 yGGGssPHsGyG 0.34
71 sGGGsyPHsGyG 0.34
72 ssGGsyPHsGGG 0.34
73 yGGGsWPHsGyG 0.34
74 ysGGssPHsGGG 0.34
75 ysGGsWPHsGGG 0.34
76 ssGGDWPHsGGG 0.35
77 yGGGsyGHPGGG 0.35
78 sGGGssPHPGGG 0.35
79 sGGGDWPHsGyG 0.35
80 yGGGEyGHsGGG 0.35
81 ssGGDsPHsGGG 0.35
82 yGGGDyGHsGyG 0.35
83 sGGGEWPHsGGG 0.35
84 yGGEDyPHsGGG 0.35
85 sGGGDsPHsGyG 0.35
86 yGGGsyPHsEGG 0.35
87 sGGGsWPHPGGG 0.35
88 yGGGDWGHPGGG 0.36
89 sGGGDyGHPGGG 0.36
90 yGGGDsPHsEGG 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yGGGssGHsGGG

15.54

-2.96

12.58
2 EGGGsyPHsGGG

17.63

-4.74

12.89
3 yGGGsyGHsGGG

16.45

-3.3

13.15
4 yGGGDsPHsGGG

16.42

-2.48

13.94
5 sGGGDyGHsGGG

15.26

-0.74

14.52
6 sGGGDsGHsGGG

15.8

-1.1

14.7
7 sGGGssPHsGGG

17.51

-2.75

14.76
8 yGGGDWGHsGGG

17.55

-2.44

15.11
9 sGGGDWGHsGGG

16.06

-0.72

15.34
10 sGGGsWGHsGGG

18.98

-3.44

15.54
11 sGGGDyPHsGGG

17.6

-1.97

15.63
12 EGGGsWPHsGGG

16.69

-0.97

15.72
13 sGGGsyGHsGGG

16.54

-0.65

15.89
14 yGGGDyPHPGGG

18.41

-2.36

16.05
15 yGGGsWGHsGGG

18.49

-2.37

16.12
16 yGGGsWPHsGGG

18.71

-2.42

16.29
17 sGGGsyPHsGGG

18.74

-2.36

16.38
18 yGGGDyGHsGGG

18.7

-2.31

16.39
19 sGGGDWPHsGGG

17.53

-1.08

16.45
20 yGGGDsGHsGGG

17.15

-0.46

16.69
21 sGGGssGHsGGG

17.19

-0.44

16.75
22 yGGGssPHsGGG

19.58

-2.75

16.83
23 sGGGDsPHsGGG

19.09

-1.84

17.25
24 EGGGDyPHsGGG

19.48

-2.12

17.36
25 sGGGsWPHsGGG

19.51

-2.0

17.51
26 yGGGDyPHsGGG

20.69

-3.01

17.68
27 EGGGDsPHsGGG

18.76

-0.81

17.95
28 yGGGsyPHsGGG

21.35

-3.3

18.05
29 yGGGDWPHsGGG

17.6

1.25

18.85
30 EGGGDWPHsGGG

18.75

0.28

19.03

 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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