Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-1.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 8.982 ΔGbinding -3.673
TOTAL
 5.309
Backbone Hb -2.163 Cis_bond 0.000
Sidechain Hb -2.163 Torsional clash 2.520
Van der Waals -4.441 Backbone clash 0.034
Electrostatics -0.289 Helix dipole 0.000
Solvation Polar 5.156 Water bridges -0.086
Solvation Hyd -6.555 Disulfide 0.000
VdW clashes 1.434 Electrost. Kon -0.359
Entropy sc 1.237 Part.cov.bonds 0.000
Entropy mc

2.035

 ΔGstability

49.266
       

Predicted ligand sequences for model [HSE1_1OEB-1.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-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRKRRFRRPY 0.0
2 WRRRRFRRPY 0.01
3 WRKRRHRRPY 0.18
4 WRRRRHRRPY 0.2
5 WRFRRFRRPY 0.25
6 WRKRRFRRPR 0.29
7 WRLRRFRRPY 0.29
8 WRRRRFRRPR 0.3
9 WRKRRYRRPY 0.36
10 WRKRRFRRRY 0.38
11 WRRRRYRRPY 0.38
12 WRRRRFRRRY 0.39
13 WRFRRHRRPY 0.43
14 WRKRRLRRPY 0.43
15 WRRRRLRRPY 0.45
16 WRKRRHRRPR 0.47
17 WRLRRHRRPY 0.47
18 WRKRRFRRPF 0.47
19 WRKRRFRRQY 0.49
20 WRRRRHRRPR 0.49
21 WRRRRFRRPF 0.49
22 WRRRRFRRQY 0.51
23 WRFRRFRRPR 0.53
24 WRKRRHRRRY 0.56
25 WRRRRHRRRY 0.57
26 WRLRRFRRPR 0.58
27 WRFRRYRRPY 0.61
28 WRFRRFRRRY 0.62
29 WRKRRYRRPR 0.65
30 WRLRRYRRPY 0.65
31 WRKRRHRRPF 0.66
32 WRRRRHRRPF 0.67
33 WRKRRFRRRR 0.67
34 WRLRRFRRRY 0.67
35 WRKRRHRRQY 0.67
36 WRRRRYRRPR 0.67
37 WRFRRLRRPY 0.68
38 WRRRRFRRRR 0.68
39 WRRRRHRRQY 0.69
40 WRFRRHRRPR 0.72
41 WRFRRFRRPF 0.72
42 WRLRRLRRPY 0.72
43 WRKRRLRRPR 0.72
44 WRFRRFRRQY 0.74
45 WRKRRYRRRY 0.74
46 WRRRRLRRPR 0.74
47 WRLRRFRRPF 0.76
48 WRLRRHRRPR 0.76
49 WRRRRYRRRY 0.76
50 WRKRRFRRQR 0.78
51 WRLRRFRRQY 0.78
52 WRRRRFRRQR 0.79
53 WRKRRLRRRY 0.81
54 WRFRRHRRRY 0.81
55 WRRRRLRRRY 0.82
56 WRKRRYRRPF 0.84
57 WRKRRHRRRR 0.85
58 WRLRRHRRRY 0.85
59 WRKRRFRRRF 0.85
60 WRRRRYRRPF 0.85
61 WRKRRYRRQY 0.85
62 WRRRRHRRRR 0.86
63 WRRRRFRRRF 0.86
64 WRRRRYRRQY 0.87
65 WRFRRHRRPF 0.9
66 WRFRRYRRPR 0.9
67 WRFRRFRRRR 0.91
68 WRKRRLRRPF 0.91
69 WRKRRLRRQY 0.92
70 WRFRRHRRQY 0.92
71 WRRRRLRRPF 0.92
72 WRLRRYRRPR 0.94
73 WRRRRLRRQY 0.94
74 WRLRRFRRRR 0.95
75 WRLRRHRRPF 0.95
76 WRKRRFRRQF 0.96
77 WRKRRHRRQR 0.96
78 WRLRRHRRQY 0.96
79 WRFRRLRRPR 0.97
80 WRRRRHRRQR 0.98
81 WRRRRFRRQF 0.98
82 WRFRRYRRRY 0.99
83 WRLRRLRRPR 1.01
84 WRFRRFRRQR 1.02
85 WRKRRHRRRF 1.03
86 WRLRRYRRRY 1.03
87 WRKRRYRRRR 1.03
88 WRRRRYRRRR 1.04
89 WRRRRHRRRF 1.05
90 WRFRRLRRRY 1.05
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WRRRRFRRPY

5.63

-19.09

-13.46
2 WRKRRFRRPY

5.21

-18.37

-13.16
3 WRLRRFRRPY

5.59

-17.42

-11.83
4 WRRRRHRRPR

4.83

-16.33

-11.5
5 WRRRRYRRPY

5.28

-16.33

-11.05
6 WRRRRFRRRY

6.04

-17.02

-10.98
7 WRRRRLRRPY

7.05

-17.63

-10.58
8 WRRRRHRRPY

4.85

-15.1

-10.25
9 WRKRRFRRQY

5.78

-15.96

-10.18
10 WRRRRHRRRY

6.6

-16.76

-10.16
11 WRLRRYRRPY

5.09

-15.22

-10.13
12 WRKRRFRRRY

5.75

-15.85

-10.1
13 WRRRRFRRPR

5.75

-15.81

-10.06
14 WRKRRHRRRY

5.42

-15.45

-10.03
15 WRLRRHRRPY

4.8

-14.81

-10.01
16 WRKRRYRRPY

5.2

-15.18

-9.98
17 WRKRRYRRPR

5.28

-15.24

-9.96
18 WRRRRFRRPF

8.14

-18.09

-9.95
19 WRKRRFRRPF

6.68

-16.63

-9.95
20 WRLRRFRRPR

7.06

-16.89

-9.83
21 WRFRRYRRPY

5.27

-14.89

-9.62
22 WRFRRFRRPR

5.46

-14.72

-9.26
23 WRKRRFRRPR

7.19

-16.45

-9.26
24 WRFRRFRRRY

5.77

-14.75

-8.98
25 WRFRRFRRPY

6.21

-15.08

-8.87
26 WRKRRHRRPY

6.89

-15.73

-8.84
27 WRRRRFRRQY

7.7

-16.42

-8.72
28 WRFRRHRRPY

6.38

-14.12

-7.74
29 WRKRRHRRPR

7.34

-14.92

-7.58
30 WRKRRLRRPY

8.17

-15.41

-7.24

 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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