Predicted ligand sequences


ADAN-name: 1W9E2.PDB (view again the scoring matrix)

PDB name: [1W9E.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E F Y F
position 1 2 3 4
poly-Ala
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 0.936 ΔGbinding -5.180
TOTAL
 -4.244
Backbone Hb -5.930 Cis_bond 0.000
Sidechain Hb -0.940 Torsional clash 0.010
Van der Waals -7.060 Backbone clash 1.250
Electrostatics -0.080 Helix dipole -0.140
Solvation Polar 12.420 Water bridges -0.500
Solvation Hyd -8.940 Disulfide 0.000
VdW clashes 0.240 Electrost. Kon -0.230
Entropy sc 3.960 Part.cov.bonds 0.000
Entropy mc

2.020

 ΔGstability

-11.170
       

Predicted ligand sequences for template [1W9E2.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).
 
  1W9E2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PWFM 0.0
2 GWFM 0.08
3 EWFM 0.11
4 DWFM 0.14
5 HWFM 0.19
6 PWFF 0.35
7 GWFF 0.43
8 PWFL 0.44
9 PWYM 0.46
10 PDFM 0.46
11 EWFF 0.46
12 DWFF 0.49
13 PWMM 0.5
14 GWFL 0.52
15 HWFF 0.54
16 GWYM 0.54
17 GDFM 0.54
18 EWFL 0.55
19 EWYM 0.57
20 EDFM 0.57
21 DWFL 0.58
22 GWMM 0.58
23 DDFM 0.6
24 DWYM 0.6
25 EWMM 0.61
26 HWFL 0.63
27 DWMM 0.64
28 HDFM 0.65
29 HWYM 0.65
30 HWMM 0.69
31 PWYF 0.81
32 PDFF 0.81
33 PWMF 0.85
34 GWYF 0.89
35 GDFF 0.89
36 PWYL 0.9
37 PDFL 0.9
38 EWYF 0.92
39 PDYM 0.92
40 EDFF 0.92
41 GWMF 0.93
42 PWML 0.94
43 DDFF 0.95
44 DWYF 0.95
45 PDMM 0.96
46 EWMF 0.96
47 GWYL 0.98
48 GDFL 0.98
49 DWMF 0.99
50 HDFF 1.0
51 HWYF 1.0
52 GDYM 1.0
53 EWYL 1.01
54 EDFL 1.01
55 GWML 1.02
56 EDYM 1.03
57 DDFL 1.04
58 DWYL 1.04
59 HWMF 1.04
60 GDMM 1.04
61 EWML 1.05
62 EDMM 1.06
63 DDYM 1.06
64 DWML 1.08
65 HDFL 1.09
66 HWYL 1.09
67 DDMM 1.1
68 HDYM 1.11
69 HWML 1.13
70 HDMM 1.15
71 PDYF 1.27
72 PDMF 1.3
73 GDYF 1.35
74 PDYL 1.36
75 EDYF 1.38
76 GDMF 1.38
77 PDML 1.4
78 DDYF 1.41
79 EDMF 1.41
80 GDYL 1.44
81 DDMF 1.44
82 HDYF 1.46
83 EDYL 1.47
84 GDML 1.48
85 HDMF 1.49
86 DDYL 1.5
87 EDML 1.5
88 DDML 1.54
89 HDYL 1.55
90 HDML 1.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DDFM

1.01

-8.57

-7.56
2 HDFM

0.96

-8.15

-7.19
3 GWFL

1.74

-8.61

-6.87
4 EDFM

1.16

-7.39

-6.23
5 EWYM

1.35

-7.23

-5.88
6 PWFL

1.58

-7.46

-5.88
7 HWFM

1.82

-7.67

-5.85
8 DWFL

1.45

-6.97

-5.52
9 GDFM

1.07

-6.51

-5.44
10 HWMM

1.83

-7.27

-5.44
11 DWFM

1.65

-7.03

-5.38
12 PDFM

1.14

-6.39

-5.25
13 DWYM

1.94

-7.05

-5.11
14 PWFM

1.7

-6.78

-5.08
15 PWYM

1.54

-6.54

-5.0
16 EWFM

1.6

-6.58

-4.98
17 EWMM

1.82

-6.66

-4.84
18 DWMM

1.15

-5.95

-4.8
19 GWYM

1.42

-6.18

-4.76
20 PWFF

1.37

-6.03

-4.66
21 HWYM

1.48

-5.85

-4.37
22 EWFF

1.29

-5.6

-4.31
23 GWMM

1.44

-5.51

-4.07
24 HWFF

1.53

-5.51

-3.98
25 DWFF

1.15

-5.04

-3.89
26 GWFM

1.13

-4.54

-3.41
27 GWFF

1.52

-4.79

-3.27
28 HWFL

1.49

-4.72

-3.23
29 EWFL

1.76

-4.88

-3.12
30 PWMM

1.21

-4.27

-3.06

 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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