Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-16.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
G
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 6.364 ΔGbinding 0.753
TOTAL
 7.117
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 1.565
Van der Waals -3.588 Backbone clash 0.274
Electrostatics 0.440 Helix dipole 0.000
Solvation Polar 3.395 Water bridges 0.000
Solvation Hyd -5.350 Disulfide 0.000
VdW clashes 0.697 Electrost. Kon 0.465
Entropy sc 0.400 Part.cov.bonds 0.000
Entropy mc

2.729

 ΔGstability

54.106
       

Predicted ligand sequences for model [HSE1_1OEB-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 HPPIKSKHF 0.0
2 HPPMKSKHF 0.1
3 HPPKKSKHF 0.15
4 HPHIKSKHF 0.16
5 HPWIKSKHF 0.16
6 HPKIKSKHF 0.18
7 HPPIRSKHF 0.2
8 HPPIKGKHF 0.22
9 HPHMKSKHF 0.26
10 HPWMKSKHF 0.26
11 HPKMKSKHF 0.28
12 HPWKKSKHF 0.3
13 HPPMRSKHF 0.3
14 HHPIKSKHF 0.31
15 HPHKKSKHF 0.31
16 HPPMKGKHF 0.32
17 HPKKKSKHF 0.33
18 HPWIRSKHF 0.35
19 HPPKRSKHF 0.35
20 HPHIRSKHF 0.36
21 HPPKKGKHF 0.37
22 HPHIKGKHF 0.38
23 HPWIKGKHF 0.38
24 HPKIRSKHF 0.38
25 HHPMKSKHF 0.41
26 HPKIKGKHF 0.41
27 HPPIRGKHF 0.42
28 HPWMRSKHF 0.45
29 HPHMRSKHF 0.46
30 HHPKKSKHF 0.46
31 HHWIKSKHF 0.47
32 HHHIKSKHF 0.47
33 HPHMKGKHF 0.48
34 HPKMRSKHF 0.48
35 HPWMKGKHF 0.48
36 HHKIKSKHF 0.49
37 HPWKRSKHF 0.5
38 HPKMKGKHF 0.51
39 HHPIRSKHF 0.51
40 HPHKRSKHF 0.51
41 HPPMRGKHF 0.52
42 HPKKRSKHF 0.53
43 HPWKKGKHF 0.53
44 HPHKKGKHF 0.53
45 HHPIKGKHF 0.54
46 HPKKKGKHF 0.56
47 HHWMKSKHF 0.57
48 HPPKRGKHF 0.57
49 HHHMKSKHF 0.57
50 HPHIRGKHF 0.58
51 HPWIRGKHF 0.58
52 HHKMKSKHF 0.59
53 HHPMRSKHF 0.61
54 HPKIRGKHF 0.61
55 HHWKKSKHF 0.62
56 HHHKKSKHF 0.62
57 HHKKKSKHF 0.64
58 HHPMKGKHF 0.64
59 HHPKRSKHF 0.66
60 HHHIRSKHF 0.67
61 HHWIRSKHF 0.67
62 HPHMRGKHF 0.68
63 HPWMRGKHF 0.68
64 HHPKKGKHF 0.68
65 HHWIKGKHF 0.69
66 HHHIKGKHF 0.69
67 HHKIRSKHF 0.69
68 HPKMRGKHF 0.71
69 HHKIKGKHF 0.72
70 HPHKRGKHF 0.73
71 HPWKRGKHF 0.73
72 HHPIRGKHF 0.73
73 HPKKRGKHF 0.75
74 HHWMRSKHF 0.77
75 HHHMRSKHF 0.77
76 HHHMKGKHF 0.79
77 HHKMRSKHF 0.79
78 HHWMKGKHF 0.79
79 HHKMKGKHF 0.82
80 HHWKRSKHF 0.82
81 HHHKRSKHF 0.82
82 HHPMRGKHF 0.83
83 HHWKKGKHF 0.84
84 HHKKRSKHF 0.84
85 HHHKKGKHF 0.84
86 HHKKKGKHF 0.87
87 HHPKRGKHF 0.88
88 HHWIRGKHF 0.89
89 HHHIRGKHF 0.89
90 HHKIRGKHF 0.92
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HPPMKGKHF

4.32

-7.39

-3.07
2 HPPIKGKHF

3.99

-6.61

-2.62
3 HPPMRSKHF

6.08

-8.65

-2.57
4 HPKIKGKHF

4.22

-6.77

-2.55
5 HPHIKGKHF

4.33

-6.63

-2.3
6 HPWMKSKHF

5.48

-7.36

-1.88
7 HPWIKGKHF

4.25

-6.04

-1.79
8 HPPKKGKHF

4.02

-5.7

-1.68
9 HPKMKSKHF

6.42

-7.96

-1.54
10 HPPIRGKHF

4.86

-6.18

-1.32
11 HPPMKSKHF

6.5

-7.6

-1.1
12 HPHMKSKHF

6.16

-7.21

-1.05
13 HPPIKSKHF

5.9

-6.61

-0.71
14 HPHKKSKHF

6.41

-6.88

-0.47
15 HPWMRSKHF

6.34

-6.72

-0.38
16 HPHIRSKHF

6.96

-7.23

-0.27
17 HPHMRSKHF

6.73

-6.91

-0.18
18 HPHIKSKHF

6.86

-7.0

-0.14
19 HPWIKSKHF

6.39

-6.45

-0.06
20 HPPKRSKHF

6.51

-6.56

-0.05
21 HPPKKSKHF

6.15

-6.09

0.06
22 HPKKKSKHF

6.85

-6.58

0.27
23 HPPIRSKHF

6.42

-6.01

0.41
24 HPKIRSKHF

6.79

-6.31

0.48
25 HPKIKSKHF

6.93

-6.0

0.93
26 HPWIRSKHF

6.41

-5.42

0.99
27 HHPMKSKHF

6.07

-5.06

1.01
28 HPWKKSKHF

6.71

-5.22

1.49
29 HHPIKSKHF

6.63

-4.27

2.36
30 HHPKKSKHF

5.92

-3.41

2.51

 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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