Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QKX-8.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 9.780 ΔGbinding 0.893
TOTAL
 10.673
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.941
Van der Waals -4.171 Backbone clash 0.016
Electrostatics 0.089 Helix dipole 0.000
Solvation Polar 4.135 Water bridges 0.000
Solvation Hyd -5.486 Disulfide 0.000
VdW clashes 3.939 Electrost. Kon 0.062
Entropy sc 1.431 Part.cov.bonds 0.000
Entropy mc

3.004

 ΔGstability

60.141
       

Predicted ligand sequences for model [SHO1_1QKX-8.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).
 
  SHO1_1QKX-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 KWFWKFER 0.0
2 KWFPKFER 0.04
3 RWFWKFER 0.07
4 KWFWKFPR 0.1
5 RWFPKFER 0.11
6 KWFWKLER 0.11
7 HWFWKFER 0.14
8 KWFPKFPR 0.14
9 KWFWKPER 0.15
10 KWFPKLER 0.15
11 KWFFKFER 0.18
12 RWFWKFPR 0.18
13 HWFPKFER 0.18
14 RWFWKLER 0.19
15 KWFPKPER 0.19
16 RWFPKFPR 0.21
17 KWFWKLPR 0.22
18 RWFWKPER 0.22
19 RWFPKLER 0.22
20 KWMWKFER 0.23
21 RWFFKFER 0.25
22 KWFWKPPR 0.25
23 HWFWKFPR 0.25
24 RWFPKPER 0.26
25 HWFWKLER 0.26
26 KWFPKLPR 0.26
27 KWDWKFER 0.26
28 KWMPKFER 0.27
29 KWFFKFPR 0.28
30 HWFPKFPR 0.29
31 RWFWKLPR 0.29
32 KWFPKPPR 0.29
33 KWFFKLER 0.29
34 KWFWKFDR 0.29
35 HWFWKPER 0.29
36 RWMWKFER 0.3
37 KWDPKFER 0.3
38 HWFPKLER 0.3
39 HWFFKFER 0.32
40 RWDWKFER 0.33
41 KWFFKPER 0.33
42 RWFPKLPR 0.33
43 KWFPKFDR 0.33
44 HWFPKPER 0.33
45 RWFWKPPR 0.33
46 KWMWKFPR 0.33
47 RWMPKFER 0.34
48 KWMWKLER 0.34
49 HWFWKLPR 0.36
50 RWFFKFPR 0.36
51 RWFWKFDR 0.36
52 RWFPKPPR 0.36
53 KWDWKFPR 0.36
54 HWMWKFER 0.37
55 KWMPKFPR 0.37
56 RWFFKLER 0.37
57 RWDPKFER 0.37
58 KWDWKLER 0.37
59 KWMPKLER 0.38
60 KWMWKPER 0.38
61 RWFFKPER 0.4
62 HWDWKFER 0.4
63 HWFPKLPR 0.4
64 KWFFKLPR 0.4
65 RWFPKFDR 0.4
66 KWDPKFPR 0.4
67 HWFWKPPR 0.4
68 KWDWKPER 0.41
69 RWMWKFPR 0.41
70 KWFWKLDR 0.41
71 KWDPKLER 0.41
72 HWMPKFER 0.41
73 KWMFKFER 0.41
74 KWMPKPER 0.42
75 RWMWKLER 0.42
76 HWFFKFPR 0.43
77 KWFFKPPR 0.43
78 KWFPKLDR 0.44
79 HWFPKPPR 0.44
80 HWDPKFER 0.44
81 KWDFKFER 0.44
82 HWFWKFDR 0.44
83 RWMPKFPR 0.44
84 RWDWKFPR 0.44
85 HWFFKLER 0.44
86 KWFWKPDR 0.44
87 RWMWKPER 0.45
88 KWMWKLPR 0.45
89 RWMPKLER 0.45
90 KWDPKPER 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KWFWKFER

8.42

-7.68

0.74
2 HWFWKFPR

8.79

-7.67

1.12
3 RWFWKPER

8.98

-7.79

1.19
4 KWFPKLPR

8.68

-7.3

1.38
5 RWFWKLER

9.41

-8.0

1.41
6 KWFFKFER

8.74

-7.11

1.63
7 KWFPKFPR

8.64

-6.8

1.84
8 RWFPKLER

9.53

-7.51

2.02
9 RWFPKPER

8.65

-6.58

2.07
10 KWMPKFER

8.72

-6.56

2.16
11 KWFWKLPR

9.32

-7.13

2.19
12 HWFPKFPR

9.31

-6.88

2.43
13 KWFWKPER

9.49

-6.96

2.53
14 RWFWKFER

8.88

-6.34

2.54
15 HWFWKLER

9.27

-6.72

2.55
16 KWFPKLER

9.74

-7.19

2.55
17 KWFWKFPR

9.54

-6.94

2.6
18 KWFPKFER

9.08

-6.47

2.61
19 KWDWKFER

8.92

-6.03

2.89
20 KWFWKPPR

10.19

-7.21

2.98
21 RWFPKFPR

9.21

-6.23

2.98
22 RWFWKFPR

9.13

-6.1

3.03
23 HWFPKFER

8.76

-5.72

3.04
24 KWFPKPER

9.5

-6.41

3.09
25 RWFFKFER

9.47

-6.25

3.22
26 KWFWKLER

9.47

-6.22

3.25
27 RWFPKFER

8.96

-5.68

3.28
28 HWFWKFER

9.03

-5.57

3.46
29 KWFFKFPR

9.57

-5.84

3.73
30 KWMWKFER

9.71

-5.13

4.58

 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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