Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QKX-9.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 12.208 ΔGbinding 0.884
TOTAL
 13.092
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.607
Van der Waals -4.776 Backbone clash 0.013
Electrostatics 0.140 Helix dipole 0.000
Solvation Polar 4.748 Water bridges -0.000
Solvation Hyd -6.317 Disulfide 0.000
VdW clashes 3.735 Electrost. Kon 0.153
Entropy sc 1.433 Part.cov.bonds 0.000
Entropy mc

2.937

 ΔGstability

61.797
       

Predicted ligand sequences for model [SHO1_1QKX-9.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-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 LDWRPEKY 0.0
2 LDWRPEFY 0.03
3 LDWRPPKY 0.05
4 LDWRPPFY 0.07
5 LDPRPEKY 0.14
6 LDWRPELY 0.17
7 LDPRPEFY 0.17
8 LDWRFEKY 0.19
9 LDPRPPKY 0.19
10 LDFRPEKY 0.2
11 LFWRPEKY 0.2
12 WDWRPEKY 0.21
13 LDPRPPFY 0.21
14 LDWRFEFY 0.22
15 LDWRPPLY 0.22
16 LDFRPEFY 0.22
17 LFWRPEFY 0.22
18 WDWRPEFY 0.23
19 LHWRPEKY 0.23
20 LFWRPPKY 0.24
21 LDWRFPKY 0.24
22 LDFRPPKY 0.24
23 LHWRPEFY 0.26
24 WDWRPPKY 0.26
25 LDFRPPFY 0.27
26 LFWRPPFY 0.27
27 LDWRFPFY 0.27
28 LHWRPPKY 0.28
29 WDWRPPFY 0.28
30 FDWRPEKY 0.3
31 LHWRPPFY 0.31
32 LDPRPELY 0.31
33 FDWRPEFY 0.33
34 LDPRFEKY 0.33
35 LFPRPEKY 0.34
36 LDWRMEKY 0.34
37 WDPRPEKY 0.35
38 FDWRPPKY 0.35
39 LDWRFELY 0.36
40 LDPRFEFY 0.36
41 LDPRPPLY 0.36
42 LFPRPEFY 0.36
43 LHPRPEKY 0.37
44 LDWRMEFY 0.37
45 LFWRPELY 0.37
46 LDFRPELY 0.37
47 WDWRPELY 0.38
48 LDPRFPKY 0.38
49 WDPRPEFY 0.38
50 LFPRPPKY 0.38
51 FDWRPPFY 0.38
52 LFFRPEKY 0.39
53 LDWRMPKY 0.39
54 LDFRFEKY 0.39
55 LFWRFEKY 0.39
56 LHWRPELY 0.4
57 WDPRPPKY 0.4
58 LHPRPEFY 0.4
59 WDWRFEKY 0.4
60 WFWRPEKY 0.4
61 LDPRFPFY 0.41
62 LFWRPPLY 0.41
63 LDWRFPLY 0.41
64 WDFRPEKY 0.41
65 LFPRPPFY 0.41
66 LDFRPPLY 0.42
67 LDWRMPFY 0.42
68 LHPRPPKY 0.42
69 LFWRFEFY 0.42
70 WDPRPPFY 0.42
71 LFFRPEFY 0.42
72 LDFRFEFY 0.42
73 LHFRPEKY 0.43
74 LHWRFEKY 0.43
75 WDFRPEFY 0.43
76 WFWRPEFY 0.43
77 WDWRFEFY 0.43
78 WDWRPPLY 0.43
79 LFWRFPKY 0.43
80 WHWRPEKY 0.44
81 LDFRFPKY 0.44
82 LFFRPPKY 0.44
83 WFWRPPKY 0.45
84 LHPRPPFY 0.45
85 LHWRPPLY 0.45
86 FDPRPEKY 0.45
87 WDWRFPKY 0.45
88 LHWRFEFY 0.45
89 WDFRPPKY 0.45
90 LFWRFPFY 0.46
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 LDPRPPKY

7.55

-9.46

-1.91
2 LHWRPEKY

5.6

-7.34

-1.74
3 LDFRPPKY

7.0

-8.54

-1.54
4 LDWRPPLY

8.44

-9.64

-1.2
5 LHWRPPKY

6.71

-7.88

-1.17
6 LDWRFPFY

6.35

-7.45

-1.1
7 LDFRPEFY

8.78

-9.8

-1.02
8 LDPRPEKY

8.31

-9.31

-1.0
9 LDWRFPKY

8.05

-8.98

-0.93
10 WDWRPPFY

9.37

-10.28

-0.91
11 LDWRPELY

7.97

-8.74

-0.77
12 WDWRPPKY

8.68

-9.35

-0.67
13 LDPRPEFY

8.22

-8.84

-0.62
14 FDWRPEKY

7.7

-8.25

-0.55
15 LDPRPPFY

9.78

-10.26

-0.48
16 LDWRPEFY

8.8

-9.07

-0.27
17 LHWRPEFY

7.92

-8.17

-0.25
18 LFWRPPKY

8.29

-8.46

-0.17
19 LFWRPPFY

8.79

-8.84

-0.05
20 LDWRFEFY

7.89

-7.64

0.25
21 WDWRPEKY

8.95

-8.52

0.43
22 LDWRPPFY

8.71

-8.09

0.62
23 LDFRPEKY

8.93

-8.22

0.71
24 LDFRPPFY

8.97

-8.02

0.95
25 LDWRPEKY

7.56

-6.45

1.11
26 LFWRPEKY

8.35

-7.02

1.33
27 LDWRFEKY

9.08

-7.71

1.37
28 LDWRPPKY

8.65

-7.23

1.42
29 WDWRPEFY

8.77

-7.13

1.64
30 LFWRPEFY

8.69

-6.23

2.46

 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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