Predicted ligand sequences


ADAN-name: 2PZD2.PDB (view again the scoring matrix)

PDB name: [2PZD.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G W T M F W V
position 1 2 3 4 5 6 7
poly-Ala
G
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 1.437 ΔGbinding -19.840
TOTAL
 -18.403
Backbone Hb -9.780 Cis_bond 0.000
Sidechain Hb -1.840 Torsional clash 0.190
Van der Waals -12.930 Backbone clash 0.460
Electrostatics -0.230 Helix dipole -0.090
Solvation Polar 12.720 Water bridges -0.420
Solvation Hyd -19.230 Disulfide 0.000
VdW clashes 1.540 Electrost. Kon -0.170
Entropy sc 7.060 Part.cov.bonds 0.000
Entropy mc

3.350

 ΔGstability

-13.530
       

Predicted ligand sequences for template [2PZD2.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).
 
  2PZD2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWWMMWI 0.0
2 WWWLMWI 0.2
3 WWFMMWI 0.2
4 WWMMMWI 0.2
5 WWYMMWI 0.22
6 WWKMMWI 0.25
7 WWWMLWI 0.36
8 WWMLMWI 0.39
9 WWFLMWI 0.39
10 WWWMMWV 0.4
11 WWYLMWI 0.41
12 WWWMFWI 0.43
13 WWKLMWI 0.44
14 WWWMKWI 0.48
15 WWWLLWI 0.56
16 WWFMLWI 0.56
17 WWMMLWI 0.56
18 WWYMLWI 0.58
19 WWWLMWV 0.59
20 WWFMMWV 0.59
21 WWMMMWV 0.59
22 WWKMLWI 0.61
23 WWYMMWV 0.61
24 WWFMFWI 0.62
25 WWMMFWI 0.62
26 WWWLFWI 0.63
27 WWYMFWI 0.64
28 WWKMMWV 0.64
29 WWWMWWI 0.65
30 WWKMFWI 0.67
31 WWWLKWI 0.68
32 WWFMKWI 0.68
33 WWMMKWI 0.68
34 WWYMKWI 0.7
35 WWKMKWI 0.72
36 WWMLLWI 0.75
37 WWWMLWV 0.76
38 WWFLLWI 0.76
39 WWYLLWI 0.78
40 WWMLMWV 0.79
41 WWFLMWV 0.79
42 WWKLLWI 0.8
43 WWYLMWV 0.81
44 WWMLFWI 0.82
45 WWWMFWV 0.82
46 WWFLFWI 0.82
47 WWMMWWI 0.84
48 WWKLMWV 0.84
49 WWYLFWI 0.84
50 WWFMWWI 0.85
51 WWWLWWI 0.85
52 WWMLKWI 0.87
53 WWKLFWI 0.87
54 WWYMWWI 0.87
55 WWFLKWI 0.87
56 WWWMKWV 0.88
57 WWYLKWI 0.89
58 WWKMWWI 0.9
59 WWKLKWI 0.92
60 WWWLLWV 0.95
61 WWFMLWV 0.95
62 WWMMLWV 0.95
63 WWYMLWV 0.97
64 WWKMLWV 1.0
65 WWFMFWV 1.02
66 WWWLFWV 1.02
67 WWMMFWV 1.02
68 WWYMFWV 1.04
69 WWMLWWI 1.04
70 WWFLWWI 1.04
71 WWWMWWV 1.04
72 WWYLWWI 1.06
73 WWWLKWV 1.07
74 WWFMKWV 1.07
75 WWMMKWV 1.07
76 WWKMFWV 1.07
77 WWKLWWI 1.09
78 WWYMKWV 1.09
79 WWKMKWV 1.12
80 WWFLLWV 1.15
81 WWMLLWV 1.15
82 WWYLLWV 1.17
83 WWKLLWV 1.2
84 WWMLFWV 1.22
85 WWFLFWV 1.22
86 WWMMWWV 1.24
87 WWFMWWV 1.24
88 WWYLFWV 1.24
89 WWWLWWV 1.24
90 WWYMWWV 1.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WWYMMWI

3.06

-22.26

-19.2
2 WWKLMWI

2.12

-21.03

-18.91
3 WWMMLWI

3.29

-21.9

-18.61
4 WWWMKWI

3.27

-21.74

-18.47
5 WWWMFWI

2.96

-21.31

-18.35
6 WWFMMWI

3.0

-21.03

-18.03
7 WWWMLWI

2.21

-20.22

-18.01
8 WWWMWWI

2.88

-20.8

-17.92
9 WWWLLWI

2.18

-20.04

-17.86
10 WWMLMWI

2.49

-20.33

-17.84
11 WWMMMWI

2.82

-20.53

-17.71
12 WWFMLWI

2.05

-19.72

-17.67
13 WWYMLWI

3.24

-20.9

-17.66
14 WWMMMWV

1.77

-19.34

-17.57
15 WWKMMWV

2.9

-20.3

-17.4
16 WWWLMWI

2.13

-19.52

-17.39
17 WWKMFWI

3.48

-20.86

-17.38
18 WWWMMWI

2.18

-19.46

-17.28
19 WWWLFWI

2.95

-20.19

-17.24
20 WWKMMWI

3.03

-20.23

-17.2
21 WWFLMWI

2.49

-19.68

-17.19
22 WWKMLWI

2.23

-19.33

-17.1
23 WWFMFWI

2.36

-19.03

-16.67
24 WWFMMWV

2.05

-18.59

-16.54
25 WWYMMWV

1.95

-18.4

-16.45
26 WWYMFWI

2.37

-18.43

-16.06
27 WWMMFWI

2.17

-18.05

-15.88
28 WWWMMWV

4.4

-19.76

-15.36
29 WWYLMWI

2.25

-16.66

-14.41
30 WWWLMWV

2.68

-17.0

-14.32

 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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