Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-14.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala 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 1.281 ΔGbinding -0.440
TOTAL
 0.841
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.067
Van der Waals -3.459 Backbone clash 0.149
Electrostatics 0.466 Helix dipole 0.000
Solvation Polar 3.920 Water bridges -0.006
Solvation Hyd -5.090 Disulfide 0.000
VdW clashes 0.281 Electrost. Kon 0.458
Entropy sc 0.421 Part.cov.bonds 0.000
Entropy mc

3.775

 ΔGstability

49.088
       

Predicted ligand sequences for model [BUD14_1SEM-14.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).
 
  BUD14_1SEM-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 MWPMMLWMF 0.0
2 MWFMMLWMF 0.01
3 MWPMMLKMF 0.02
4 MWFMMLKMF 0.03
5 MWPFMLWMF 0.05
6 MWFFMLWMF 0.05
7 MWYMMLWMF 0.05
8 MWFFMLKMF 0.07
9 MWYMMLKMF 0.07
10 MWPFMLKMF 0.07
11 MWFIMLWMF 0.09
12 MWPIMLWMF 0.09
13 MWYFMLWMF 0.1
14 MWPMMLEMF 0.1
15 MWFMMLEMF 0.1
16 MWPIMLKMF 0.11
17 MWFIMLKMF 0.11
18 MWYFMLKMF 0.12
19 MWYIMLWMF 0.14
20 MWYMMLEMF 0.15
21 MWPFMLEMF 0.15
22 MWFFMLEMF 0.15
23 MWYIMLKMF 0.16
24 MHPMMLWMF 0.18
25 MWFIMLEMF 0.19
26 MHFMMLWMF 0.19
27 MWPIMLEMF 0.19
28 MHPMMLKMF 0.2
29 MWYFMLEMF 0.2
30 MHFMMLKMF 0.21
31 MHFFMLWMF 0.23
32 MHYMMLWMF 0.23
33 MHPFMLWMF 0.23
34 MWYIMLEMF 0.24
35 MHFFMLKMF 0.25
36 MHPFMLKMF 0.25
37 MHYMMLKMF 0.25
38 KWPMMLWMF 0.26
39 KWFMMLWMF 0.26
40 MHPIMLWMF 0.27
41 MHFIMLWMF 0.27
42 MHYFMLWMF 0.28
43 KWPMMLKMF 0.28
44 MHFMMLEMF 0.28
45 KWFMMLKMF 0.28
46 MHPMMLEMF 0.28
47 IWPMMLWMF 0.29
48 MHFIMLKMF 0.29
49 MHPIMLKMF 0.29
50 IWFMMLWMF 0.3
51 MHYFMLKMF 0.3
52 KWFFMLWMF 0.31
53 IWPMMLKMF 0.31
54 KWPFMLWMF 0.31
55 KWYMMLWMF 0.31
56 MHYIMLWMF 0.32
57 IWFMMLKMF 0.32
58 KWPFMLKMF 0.33
59 MHPFMLEMF 0.33
60 KWYMMLKMF 0.33
61 MHYMMLEMF 0.33
62 MHFFMLEMF 0.33
63 KWFFMLKMF 0.33
64 IWPFMLWMF 0.34
65 IWYMMLWMF 0.34
66 MHYIMLKMF 0.34
67 KWPIMLWMF 0.35
68 IWFFMLWMF 0.35
69 KWFIMLWMF 0.35
70 IWPFMLKMF 0.36
71 MWPMMLWRF 0.36
72 KWFMMLEMF 0.36
73 KWYFMLWMF 0.36
74 IWYMMLKMF 0.36
75 KWPMMLEMF 0.36
76 MWFMMLWRF 0.37
77 MHFIMLEMF 0.37
78 KWFIMLKMF 0.37
79 IWFFMLKMF 0.37
80 MHPIMLEMF 0.37
81 KWPIMLKMF 0.37
82 MHYFMLEMF 0.38
83 KWYFMLKMF 0.38
84 MWPMMLKRF 0.38
85 MWFMMLWWF 0.38
86 IWPIMLWMF 0.38
87 MWPMMLWWF 0.38
88 IWPMMLEMF 0.39
89 IWFIMLWMF 0.39
90 IWYFMLWMF 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MHPMMLKMF

2.7

-8.74

-6.04
2 MHFMMLWMF

2.78

-8.71

-5.93
3 MWFIMLEMF

2.52

-7.95

-5.43
4 MWYMMLWMF

3.29

-8.43

-5.14
5 MWYMMLEMF

2.65

-7.66

-5.01
6 MWFIMLKMF

2.83

-7.78

-4.95
7 MWFMMLWMF

2.72

-7.63

-4.91
8 MWFFMLWMF

2.54

-7.36

-4.82
9 MWFMMLKMF

2.9

-7.71

-4.81
10 MHFMMLKMF

2.95

-7.62

-4.67
11 MWPMMLWMF

2.54

-7.19

-4.65
12 MWYIMLKMF

2.78

-7.39

-4.61
13 MWFMMLEMF

2.86

-7.44

-4.58
14 MWPMMLKMF

2.76

-7.14

-4.38
15 MWFFMLEMF

2.79

-7.15

-4.36
16 MWPFMLWMF

2.69

-7.01

-4.32
17 MWPFMLKMF

3.72

-7.97

-4.25
18 MWYMMLKMF

2.91

-7.15

-4.24
19 MWPIMLKMF

2.97

-7.18

-4.21
20 MWYFMLWMF

2.55

-6.74

-4.19
21 MWPMMLEMF

2.59

-6.64

-4.05
22 MWYFMLKMF

2.7

-6.72

-4.02
23 MWYIMLWMF

4.29

-7.97

-3.68
24 MWPIMLWMF

2.84

-6.47

-3.63
25 MWPIMLEMF

3.21

-6.66

-3.45
26 MWFFMLKMF

2.63

-6.07

-3.44
27 MWFIMLWMF

3.24

-6.48

-3.24
28 MWYFMLEMF

2.44

-5.17

-2.73
29 MHPMMLWMF

4.9

-7.56

-2.66
30 MWPFMLEMF

2.79

-5.44

-2.65

 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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