Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-29.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 10
poly-Ala
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 6.184 ΔGbinding -2.286
TOTAL
 3.898
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.507
Van der Waals -3.475 Backbone clash -0.000
Electrostatics 0.160 Helix dipole 0.000
Solvation Polar 3.312 Water bridges 0.023
Solvation Hyd -4.898 Disulfide 0.000
VdW clashes 0.683 Electrost. Kon 0.154
Entropy sc 0.382 Part.cov.bonds 0.000
Entropy mc

2.141

 ΔGstability

47.585
       

Predicted ligand sequences for model [HSE1_1OEB-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DYPPRRRRRK 0.0
2 DYPPRRKRRK 0.0
3 HYPPRRKRRK 0.01
4 DYPPRRPRRK 0.01
5 HYPPRRRRRK 0.01
6 HYPPRRPRRK 0.02
7 DYWPRRKRRK 0.02
8 DYWPRRRRRK 0.02
9 DYWPRRPRRK 0.03
10 HYWPRRKRRK 0.03
11 HYWPRRRRRK 0.03
12 HYWPRRPRRK 0.04
13 DYPPRRRRRH 0.07
14 DYPPRRKRRH 0.07
15 HYPPRRKRRH 0.08
16 DYPPRRPRRH 0.08
17 HYPPRRRRRH 0.08
18 HYPPRRPRRH 0.09
19 DYWPRRKRRH 0.09
20 DYWPRRRRRH 0.09
21 DYWPRRPRRH 0.1
22 HYWPRRKRRH 0.1
23 HYWPRRRRRH 0.1
24 DYPPRRRRRR 0.11
25 HYWPRRPRRH 0.11
26 DYPPRRKRRR 0.11
27 HYPPRRKRRR 0.12
28 DYPPRRPRRR 0.12
29 HYPPRRRRRR 0.12
30 HYPPRRPRRR 0.13
31 DYWPRRKRRR 0.13
32 DYWPRRRRRR 0.13
33 DYWPRRPRRR 0.14
34 HYWPRRKRRR 0.14
35 HYWPRRRRRR 0.14
36 HYWPRRPRRR 0.15
37 FYPPRRKRRK 0.19
38 FYPPRRRRRK 0.19
39 FYPPRRPRRK 0.2
40 FYWPRRRRRK 0.21
41 DYPPLRKRRK 0.21
42 DYLPRRKRRK 0.21
43 FYWPRRKRRK 0.21
44 DYPPLRRRRK 0.21
45 DYLPRRRRRK 0.22
46 DYPPLRPRRK 0.22
47 HYPPLRKRRK 0.22
48 FYWPRRPRRK 0.22
49 HYLPRRRRRK 0.23
50 HYPPLRRRRK 0.23
51 DYWPLRKRRK 0.23
52 DYWPLRRRRK 0.23
53 HYLPRRKRRK 0.23
54 DYLPRRPRRK 0.23
55 HYPPLRPRRK 0.23
56 HYWPLRKRRK 0.24
57 HYLPRRPRRK 0.24
58 DYWPLRPRRK 0.24
59 HYWPLRRRRK 0.24
60 HYWPLRPRRK 0.25
61 FYPPRRKRRH 0.26
62 FYPPRRRRRH 0.26
63 FYPPRRPRRH 0.27
64 DYPIRRKRRK 0.27
65 DYPRRRRRRK 0.28
66 DYPRRRKRRK 0.28
67 FYWPRRRRRH 0.28
68 DYPPLRKRRH 0.28
69 DYLPRRKRRH 0.28
70 DYPIRRRRRK 0.28
71 FYWPRRKRRH 0.28
72 DYPPLRRRRH 0.28
73 HYPIRRKRRK 0.28
74 HYPPLRRRRH 0.29
75 DYWIRRKRRK 0.29
76 DYPPLRPRRH 0.29
77 DYLPRRRRRH 0.29
78 DYPRRRPRRK 0.29
79 HYPIRRRRRK 0.29
80 HYLPRRKRRH 0.29
81 DYPPIRRRRK 0.29
82 DYPPIRKRRK 0.29
83 HYPPLRKRRH 0.29
84 DYLPRRPRRH 0.29
85 DYPIRRPRRK 0.29
86 FYWPRRPRRH 0.29
87 HYPRRRKRRK 0.29
88 HYPRRRRRRK 0.29
89 FYPPRRKRRR 0.3
90 HYPIRRPRRK 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HYPPRRPRRK

4.01

-17.68

-13.67
2 DYPPRRKRRR

5.95

-18.84

-12.89
3 HYPPRRKRRH

5.89

-18.76

-12.87
4 DYPPRRKRRH

5.73

-17.63

-11.9
5 HYPPRRRRRR

6.01

-17.1

-11.09
6 DYPPRRRRRK

6.05

-16.85

-10.8
7 DYPPRRRRRR

3.79

-14.45

-10.66
8 HYWPRRRRRH

5.91

-16.53

-10.62
9 DYPPRRKRRK

7.5

-17.93

-10.43
10 HYPPRRPRRH

5.67

-15.88

-10.21
11 HYPPRRPRRR

5.62

-15.73

-10.11
12 DYPPRRPRRK

5.51

-15.4

-9.89
13 DYPPRRPRRH

5.21

-15.07

-9.86
14 DYPPRRRRRH

5.22

-14.85

-9.63
15 DYWPRRKRRH

5.94

-15.56

-9.62
16 DYPPRRPRRR

7.46

-16.87

-9.41
17 HYPPRRKRRK

5.75

-15.16

-9.41
18 HYWPRRPRRK

5.66

-14.63

-8.97
19 HYWPRRRRRK

5.85

-14.79

-8.94
20 DYWPRRKRRK

5.73

-14.45

-8.72
21 HYPPRRRRRH

7.49

-16.2

-8.71
22 DYWPRRRRRH

5.42

-14.07

-8.65
23 DYWPRRPRRK

6.05

-14.7

-8.65
24 DYWPRRRRRK

5.62

-14.01

-8.39
25 HYWPRRKRRH

5.44

-13.74

-8.3
26 DYWPRRPRRH

5.62

-13.82

-8.2
27 HYPPRRRRRK

7.23

-15.15

-7.92
28 HYWPRRPRRH

7.39

-15.1

-7.71
29 HYPPRRKRRR

7.29

-14.74

-7.45
30 HYWPRRKRRK

8.08

-14.17

-6.09

 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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