Predicted ligand sequences


ADAN-name: 1I7W4.PDB (view again the scoring matrix)

PDB name: [1I7W.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D Y L N E W G N R F K K L A D M Y
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
poly-Ala
A
A
 A
A
A
A
 G
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    

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Intraclash 2.995 ΔGbinding -16.909
TOTAL
 -13.914
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -1.987 Torsional clash 0.343
Van der Waals -9.414 Backbone clash 0.151
Electrostatics -2.401 Helix dipole -0.056
Solvation Polar 6.122 Water bridges -0.262
Solvation Hyd -16.167 Disulfide 0.000
VdW clashes 0.938 Electrost. Kon -1.964
Entropy sc 7.076 Part.cov.bonds 0.000
Entropy mc

0.862

 ΔGstability

-119.287
       

Predicted ligand sequences for template [1I7W4.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).
 
  1I7W4.PDB  

(data)
# Predicted Sequences Value Calculate
1 yyyDPWRRRWHNFFVyy 0.0
2 yyyDPWRRRWHNFFDyy 0.0
3 yyyDPWRRRWHNFFSyy 0.0
4 WyyDPWRRRWHNFFSyy 0.01
5 yyyLPWRRRWHNFFVyy 0.01
6 WyyDPWRRRWHNFFDyy 0.01
7 yyyLPWRRRWHNFFDyy 0.01
8 WyyDPWRRRWHNFFVyy 0.01
9 WyyLPWRRRWHNFFVyy 0.01
10 yyyLPWRRRWHNFFSyy 0.01
11 WyyDPWRRRWHNFYVyy 0.02
12 WyyLPWRRRWHNFFSyy 0.02
13 yyyDPWRRRWHNFYDyy 0.02
14 WyyDPWRRRWHNFYDyy 0.02
15 yyyDPWRRRWHNFYVyy 0.02
16 WyyLPWRRRWHNFFDyy 0.02
17 yyyDPWRRRWHNFYSyy 0.02
18 WyyLPWRRRWHNFYVyy 0.03
19 yyyLPWRRRWHNFYDyy 0.03
20 WyyDPWRRRWHNFWVyy 0.03
21 WyyLPWRRRWHNFYSyy 0.03
22 yyyLPWRRRWHNFYSyy 0.03
23 yyyLPWRRRWHNFYVyy 0.03
24 WyyLPWRRRWHNFYDyy 0.03
25 WyyDPWRRRWHNFYSyy 0.03
26 yyyDPWRRRWHNFWSyy 0.03
27 yyyDPWRRRWHNFWDyy 0.03
28 yyyDPWRRRWHNFWVyy 0.03
29 yyyLPWRRRWHNFWSyy 0.04
30 WyyDPWRRRWHNFWDyy 0.04
31 WyyDPWRRRWHNFWSyy 0.04
32 WyyLPWRRRWHNFWSyy 0.04
33 DyyDPWRRRWHNFFDyy 0.04
34 yyyLPWRRRWHNFWVyy 0.04
35 DyyDPWRRRWHNFFVyy 0.04
36 yyyLPWRRRWHNFWDyy 0.04
37 WyyLPWRRRWHNFWDyy 0.04
38 WyyLPWRRRWHNFWVyy 0.04
39 DyyLPWRRRWHNFFSyy 0.05
40 DyyLPWRRRWHNFFVyy 0.05
41 DyyLPWRRRWHNFFDyy 0.05
42 DyyDPWRRRWHNFFSyy 0.05
43 DyyDPWRRRWHNFYDyy 0.06
44 DyyDPWRRRWHNFYSyy 0.06
45 DyyDPWRRRWHNFYVyy 0.06
46 DyyDPWRRRWHNFWSyy 0.07
47 yyFDPWRRRWHNFFSyy 0.07
48 yyFDPWRRRWHNFFDyy 0.07
49 DyyDPWRRRWHNFWVyy 0.07
50 DyyDPWRRRWHNFWDyy 0.07
51 DyyLPWRRRWHNFYVyy 0.07
52 DyyLPWRRRWHNFYDyy 0.07
53 DyyLPWRRRWHNFYSyy 0.07
54 yyFDPWRRRWHNFFVyy 0.07
55 WyFLPWRRRWHNFFVyy 0.08
56 yyFLPWRRRWHNFFSyy 0.08
57 yyFLPWRRRWHNFFDyy 0.08
58 yyyIPWRRRWHNFFVyy 0.08
59 DyyLPWRRRWHNFWDyy 0.08
60 WyyIPWRRRWHNFFSyy 0.08
61 WyFDPWRRRWHNFFVyy 0.08
62 DyyLPWRRRWHNFWSyy 0.08
63 yyyIPWRRRWHNFFDyy 0.08
64 WyFDPWRRRWHNFFDyy 0.08
65 WyFDPWRRRWHNFFSyy 0.08
66 WyyIPWRRRWHNFFVyy 0.08
67 WyyIPWRRRWHNFFDyy 0.08
68 DyyLPWRRRWHNFWVyy 0.08
69 yyFLPWRRRWHNFFVyy 0.08
70 yyyIPWRRRWHNFFSyy 0.08
71 yyFDPWRRRWHNFYDyy 0.09
72 WyFDPWRRRWHNFYVyy 0.09
73 WyFLPWRRRWHNFFSyy 0.09
74 WyFLPWRRRWHNFFDyy 0.09
75 yyFDPWRRRWHNFYVyy 0.09
76 yyFDPWRRRWHNFYSyy 0.09
77 yyyIPWRRRWHNFYVyy 0.09
78 yyFDPWRRRWHNFWDyy 0.1
79 WyyIPWRRRWHNFYDyy 0.1
80 yyyIPWRRRWHNFWVyy 0.1
81 yyFLPWRRRWHNFYVyy 0.1
82 WyFDPWRRRWHNFYDyy 0.1
83 WyFLPWRRRWHNFYVyy 0.1
84 yyyIPWRRRWHNFYSyy 0.1
85 WyyIPWRRRWHNFYSyy 0.1
86 yyFLPWRRRWHNFYSyy 0.1
87 yyFDPWRRRWHNFWSyy 0.1
88 WyyIPWRRRWHNFYVyy 0.1
89 yyFLPWRRRWHNFYDyy 0.1
90 WyFLPWRRRWHNFYDyy 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yyyDPWRRRWHNFWDyy

3.82

-9.95

-6.13
2 yyyDPWRRRWHNFWVyy

3.66

-9.6

-5.94
3 yyyDPWRRRWHNFFVyy

2.97

-8.37

-5.4
4 WyyLPWRRRWHNFFDyy

3.12

-8.28

-5.16
5 WyyDPWRRRWHNFWVyy

3.56

-8.4

-4.84
6 WyyLPWRRRWHNFYSyy

2.88

-7.63

-4.75
7 yyyLPWRRRWHNFWSyy

4.71

-9.23

-4.52
8 yyyLPWRRRWHNFYDyy

2.22

-6.66

-4.44
9 WyyDPWRRRWHNFYSyy

5.23

-9.08

-3.85
10 yyyDPWRRRWHNFFDyy

2.58

-6.39

-3.81
11 yyyDPWRRRWHNFYDyy

3.0

-6.71

-3.71
12 WyyLPWRRRWHNFFSyy

3.1

-6.69

-3.59
13 WyyDPWRRRWHNFWDyy

3.03

-6.5

-3.47
14 WyyLPWRRRWHNFYVyy

2.81

-5.54

-2.73
15 yyyLPWRRRWHNFYSyy

2.56

-5.16

-2.6
16 yyyLPWRRRWHNFYVyy

2.63

-5.16

-2.53
17 WyyDPWRRRWHNFFDyy

3.28

-5.78

-2.5
18 WyyLPWRRRWHNFFVyy

2.24

-4.26

-2.02
19 yyyDPWRRRWHNFYSyy

5.08

-6.99

-1.91
20 WyyDPWRRRWHNFYDyy

7.04

-8.82

-1.78
21 yyyDPWRRRWHNFYVyy

2.88

-4.65

-1.77
22 yyyDPWRRRWHNFFSyy

2.32

-4.01

-1.69
23 WyyDPWRRRWHNFFSyy

2.67

-4.28

-1.61
24 WyyDPWRRRWHNFYVyy

5.44

-6.99

-1.55
25 WyyDPWRRRWHNFFVyy

3.02

-4.52

-1.5
26 yyyLPWRRRWHNFFDyy

4.2

-5.47

-1.27
27 yyyDPWRRRWHNFWSyy

3.08

-4.27

-1.19
28 WyyLPWRRRWHNFYDyy

4.72

-5.56

-0.84
29 yyyLPWRRRWHNFFSyy

3.19

-3.06

0.13
30 yyyLPWRRRWHNFFVyy

5.49

-5.33

0.16

 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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