Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QKX-28.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 17.008 ΔGbinding 1.206
TOTAL
 18.214
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.463
Van der Waals -6.563 Backbone clash 0.259
Electrostatics 0.285 Helix dipole 0.000
Solvation Polar 6.778 Water bridges 0.003
Solvation Hyd -9.273 Disulfide 0.000
VdW clashes 6.264 Electrost. Kon 0.300
Entropy sc 0.769 Part.cov.bonds 0.000
Entropy mc

3.456

 ΔGstability

61.343
       

Predicted ligand sequences for model [SHO1_1QKX-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPHRFPRRFV 0.0
2 WPHRFVRRFV 0.04
3 WPRRFPRRFV 0.06
4 WDHRFPRRFV 0.07
5 WPHRFIRRFV 0.09
6 WPRRFVRRFV 0.1
7 WDHRFVRRFV 0.11
8 WDRRFPRRFV 0.12
9 WPRRFIRRFV 0.14
10 WPHRFPRKFV 0.14
11 WDHRFIRRFV 0.15
12 WDRRFVRRFV 0.17
13 WPHRFVRKFV 0.19
14 WKHRFPRRFV 0.2
15 WPPRFPRRFV 0.2
16 WPRRFPRKFV 0.2
17 WDRRFIRRFV 0.21
18 WDHRFPRKFV 0.21
19 WPHRFIRKFV 0.23
20 WKHRFVRRFV 0.24
21 WPPRFVRRFV 0.24
22 RPHRFPRRFV 0.24
23 WPRRFVRKFV 0.24
24 WDHRFVRKFV 0.25
25 WKRRFPRRFV 0.25
26 WDPRFPRRFV 0.26
27 WDRRFPRKFV 0.27
28 WPPRFIRRFV 0.28
29 WKHRFIRRFV 0.28
30 RPHRFVRRFV 0.29
31 WPHRFPRRLV 0.29
32 WPRRFIRKFV 0.29
33 WDHRFIRKFV 0.29
34 RPRRFPRRFV 0.3
35 WKRRFVRRFV 0.3
36 WDPRFVRRFV 0.31
37 WDRRFVRKFV 0.31
38 RDHRFPRRFV 0.31
39 WPHRFVRRLV 0.33
40 RPHRFIRRFV 0.33
41 WPHRFPRRFI 0.34
42 WPPRFPRKFV 0.34
43 WKRRFIRRFV 0.34
44 WKHRFPRKFV 0.34
45 RDHRFVRRFV 0.35
46 WDPRFIRRFV 0.35
47 WPRRFPRRLV 0.35
48 RPRRFVRRFV 0.35
49 WDRRFIRKFV 0.35
50 WDHRFPRRLV 0.36
51 RDRRFPRRFV 0.37
52 WPHRFVRRFI 0.38
53 WKHRFVRKFV 0.38
54 WPPRFVRKFV 0.38
55 WPHRFIRRLV 0.38
56 RPHRFPRKFV 0.39
57 WKPRFPRRFV 0.39
58 WPRRFVRRLV 0.39
59 RPRRFIRRFV 0.39
60 WKRRFPRKFV 0.4
61 WDPRFPRKFV 0.4
62 WDHRFVRRLV 0.4
63 WPRRFPRRFI 0.4
64 RDHRFIRRFV 0.4
65 WDRRFPRRLV 0.41
66 WDHRFPRRFI 0.41
67 RDRRFVRRFV 0.41
68 WPPRFIRKFV 0.42
69 WKHRFIRKFV 0.42
70 WKPRFVRRFV 0.43
71 WPRRFIRRLV 0.43
72 WPHRFIRRFI 0.43
73 RPHRFVRKFV 0.43
74 WPHRFPRKLV 0.43
75 WDHRFIRRLV 0.44
76 WKRRFVRKFV 0.44
77 RPRRFPRKFV 0.44
78 RKHRFPRRFV 0.44
79 RPPRFPRRFV 0.44
80 WPRRFVRRFI 0.44
81 WDPRFVRKFV 0.45
82 WDHRFVRRFI 0.45
83 RDRRFIRRFV 0.45
84 RDHRFPRKFV 0.45
85 WPHRFPRRWV 0.46
86 WDRRFPRRFI 0.46
87 WDRRFVRRLV 0.46
88 RPHRFIRKFV 0.47
89 RPPRFVRRFV 0.48
90 WKPRFIRRFV 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WPRRFVRKFV

8.34

-14.44

-6.1
2 WPHRFPRKFV

7.97

-13.86

-5.89
3 WPPRFPRRFV

8.86

-14.7

-5.84
4 WPRRFIRRFV

9.71

-15.44

-5.73
5 WPRRFPRRFV

9.62

-14.98

-5.36
6 WPRRFPRKFV

8.39

-13.68

-5.29
7 WDHRFPRKFV

8.32

-13.55

-5.23
8 WKHRFVRRFV

8.94

-13.89

-4.95
9 WDHRFIRRFV

8.61

-13.45

-4.84
10 WDHRFVRRFV

8.78

-13.56

-4.78
11 WDRRFVRRFV

9.22

-13.98

-4.76
12 WPPRFIRRFV

8.94

-13.67

-4.73
13 WDRRFPRKFV

8.84

-13.52

-4.68
14 RPHRFPRRFV

9.32

-13.88

-4.56
15 WDRRFIRRFV

9.5

-14.03

-4.53
16 WPHRFVRRFV

8.8

-13.26

-4.46
17 WKHRFIRRFV

8.7

-13.05

-4.35
18 WKRRFPRRFV

9.28

-13.54

-4.26
19 WDHRFPRRFV

9.07

-13.29

-4.22
20 WDRRFPRRFV

8.86

-13.05

-4.19
21 WDPRFPRRFV

9.23

-13.35

-4.12
22 RPHRFVRRFV

8.41

-12.38

-3.97
23 WPHRFIRRFV

9.15

-12.88

-3.73
24 WKHRFPRRFV

8.47

-12.18

-3.71
25 WPPRFVRRFV

8.1

-11.77

-3.67
26 WPHRFPRRFV

9.18

-12.83

-3.65
27 WPHRFIRKFV

9.58

-13.21

-3.63
28 WPHRFVRKFV

8.85

-12.26

-3.41
29 WPRRFVRRFV

8.52

-10.88

-2.36
30 WDHRFVRKFV

8.46

-10.31

-1.85

 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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