Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-12.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.479 ΔGbinding -1.936
TOTAL
 -1.457
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.281
Van der Waals -1.678 Backbone clash 0.000
Electrostatics 0.135 Helix dipole 0.000
Solvation Polar 1.866 Water bridges 0.000
Solvation Hyd -2.440 Disulfide 0.000
VdW clashes 0.006 Electrost. Kon 0.148
Entropy sc 0.309 Part.cov.bonds 0.000
Entropy mc

0.712

 ΔGstability

44.379
       

Predicted ligand sequences for model [HSE1_1OEB-12.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).
 
  HSE1_1OEB-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRVKRKRK 0.0
2 YRVRRKRK 0.02
3 FRVKRKRK 0.05
4 YRVKRKRR 0.07
5 FRVRRKRK 0.08
6 YKVKRKRK 0.08
7 YRVRRKRR 0.09
8 YKVRRKRK 0.11
9 FRVKRKRR 0.12
10 YRVKPKRK 0.13
11 HRVKRKRK 0.14
12 FKVKRKRK 0.14
13 YRVRPKRK 0.15
14 YKVKRKRR 0.15
15 FRVRRKRR 0.15
16 FKVRRKRK 0.16
17 YRVKHKRK 0.16
18 HRVRRKRK 0.16
19 YKVRRKRR 0.18
20 YRVRHKRK 0.18
21 FRVKPKRK 0.18
22 YRVKPKRR 0.2
23 HRVKRKRR 0.2
24 FRVRPKRK 0.21
25 FKVKRKRR 0.21
26 YKVKPKRK 0.21
27 HKVKRKRK 0.22
28 YRVRPKRR 0.22
29 FRVKHKRK 0.22
30 FKVRRKRR 0.23
31 YRVKHKRR 0.23
32 HRVRRKRR 0.23
33 HKVRRKRK 0.24
34 FRVRHKRK 0.24
35 YKVRPKRK 0.24
36 YRVRHKRR 0.25
37 FRVKPKRR 0.25
38 YKVKHKRK 0.25
39 HRVKPKRK 0.26
40 FRVRPKRR 0.27
41 FKVKPKRK 0.27
42 YKVRHKRK 0.27
43 YKVKPKRR 0.28
44 HKVKRKRR 0.29
45 HRVRPKRK 0.29
46 FKVRPKRK 0.29
47 FRVKHKRR 0.29
48 HRVKHKRK 0.3
49 FKVKHKRK 0.3
50 YKVRPKRR 0.3
51 FRVRHKRR 0.31
52 HKVRRKRR 0.31
53 YRFKRKRK 0.31
54 HRVRHKRK 0.32
55 YKVKHKRR 0.32
56 FKVRHKRK 0.32
57 HRVKPKRR 0.33
58 YRFRRKRK 0.33
59 FKVKPKRR 0.34
60 YKVRHKRR 0.34
61 HKVKPKRK 0.35
62 FRFKRKRK 0.36
63 HRVRPKRR 0.36
64 FKVRPKRR 0.36
65 HKVRPKRK 0.37
66 HRVKHKRR 0.37
67 FKVKHKRR 0.37
68 FRFRRKRK 0.38
69 HKVKHKRK 0.38
70 YRFKRKRR 0.38
71 HRVRHKRR 0.39
72 YKFKRKRK 0.39
73 FKVRHKRR 0.39
74 YRFRRKRR 0.4
75 HKVRHKRK 0.4
76 YKFRRKRK 0.41
77 HKVKPKRR 0.42
78 YRFKPKRK 0.43
79 FRFKRKRR 0.43
80 HKVRPKRR 0.44
81 HRFKRKRK 0.44
82 FRFRRKRR 0.45
83 FKFKRKRK 0.45
84 HKVKHKRR 0.45
85 YKFKRKRR 0.46
86 YRFRPKRK 0.46
87 HRFRRKRK 0.47
88 FKFRRKRK 0.47
89 YRFKHKRK 0.47
90 YRVKRWRK 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FKVKRKRR

2.36

-10.22

-7.86
2 FRVKRKRK

2.37

-10.23

-7.86
3 HRVRRKRK

2.43

-10.03

-7.6
4 FRVRRKRK

3.02

-10.46

-7.44
5 HRVKRKRK

2.61

-10.04

-7.43
6 FKVKRKRK

2.03

-9.11

-7.08
7 YRVRRKRR

2.65

-9.67

-7.02
8 YKVKRKRR

2.81

-9.76

-6.95
9 FKVRRKRK

2.27

-9.16

-6.89
10 YKVRRKRK

2.36

-9.17

-6.81
11 HKVKRKRK

3.01

-9.59

-6.58
12 YRVKRKRK

2.36

-8.91

-6.55
13 YKVRRKRR

3.19

-9.63

-6.44
14 FKVRRKRR

2.64

-9.08

-6.44
15 YRVRRKRK

2.36

-8.79

-6.43
16 FRVRRKRR

2.44

-8.76

-6.32
17 HRVKRKRR

3.12

-9.4

-6.28
18 FRVKRKRR

3.03

-9.28

-6.25
19 YRVKHKRK

2.31

-8.36

-6.05
20 YRVRPKRR

2.69

-8.73

-6.04
21 YRVRHKRK

2.38

-8.31

-5.93
22 YRVKPKRR

2.57

-8.48

-5.91
23 YRVKRKRR

2.45

-8.36

-5.91
24 YRVRPKRK

3.02

-8.69

-5.67
25 FRVRPKRK

2.6

-8.18

-5.58
26 FRVKPKRK

2.08

-7.52

-5.44
27 YKVKRKRK

2.28

-7.72

-5.44
28 FRVKHKRK

3.05

-8.31

-5.26
29 YRVKPKRK

2.24

-7.08

-4.84
30 YKVKPKRK

2.49

-7.0

-4.51

 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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