Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-29.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 5.272 ΔGbinding -0.515
TOTAL
 4.757
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.414
Van der Waals -3.879 Backbone clash 0.094
Electrostatics -0.339 Helix dipole 0.000
Solvation Polar 3.363 Water bridges -0.018
Solvation Hyd -5.877 Disulfide 0.000
VdW clashes 2.766 Electrost. Kon -0.442
Entropy sc 0.586 Part.cov.bonds 0.000
Entropy mc

2.910

 ΔGstability

35.451
       

Predicted ligand sequences for model [SLA1-D3_1KA9-29.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).
 
  SLA1-D3_1KA9-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYPPFRRHIK 0.0
2 HYPPFRRRIK 0.02
3 RYPPFRRHIK 0.03
4 KYPPFRRHIK 0.04
5 RYPPFRRRIK 0.05
6 KYPPFRRRIK 0.06
7 HWPPFRRHIK 0.07
8 HYPPYRRHIK 0.08
9 HYPPFRRHIR 0.09
10 HWPPFRRRIK 0.09
11 RYPPYRRHIK 0.1
12 HYPPYRRRIK 0.1
13 RWPPFRRHIK 0.1
14 HYPPFRRRIR 0.11
15 RYPPFRRHIR 0.11
16 KYPPYRRHIK 0.12
17 KWPPFRRHIK 0.12
18 RWPPFRRRIK 0.12
19 RYPPYRRRIK 0.12
20 RYPPFRRRIR 0.13
21 KYPPFRRHIR 0.13
22 KWPPFRRRIK 0.14
23 KYPPYRRRIK 0.14
24 HWPPYRRHIK 0.15
25 KYPPFRRRIR 0.15
26 HYPPYRRHIR 0.16
27 HYPRFRRHIK 0.16
28 HWPPFRRHIR 0.16
29 HWPPYRRRIK 0.17
30 HYPEFRRHIK 0.17
31 RWPPYRRHIK 0.18
32 HYPRFRRRIK 0.18
33 HYPPYRRRIR 0.18
34 HWPPFRRRIR 0.18
35 RWPPFRRHIR 0.18
36 RYPPYRRHIR 0.19
37 HYPEFRRRIK 0.19
38 RYPRFRRHIK 0.19
39 RWPPYRRRIK 0.2
40 KWPPYRRHIK 0.2
41 KWPPFRRHIR 0.2
42 KYPRFRRHIK 0.2
43 RYPEFRRHIK 0.2
44 RWPPFRRRIR 0.2
45 RYPRFRRRIK 0.21
46 KYPPYRRHIR 0.21
47 RYPPYRRRIR 0.21
48 RYPEFRRRIK 0.22
49 KWPPFRRRIR 0.22
50 KWPPYRRRIK 0.22
51 KYPEFRRHIK 0.22
52 KYPRFRRRIK 0.22
53 HWPRFRRHIK 0.23
54 KYPPYRRRIR 0.23
55 HWPPYRRHIR 0.24
56 HYPRFRRHIR 0.24
57 HYPRYRRHIK 0.24
58 KYPEFRRRIK 0.24
59 HYPPFRRHYK 0.24
60 HWPRFRRRIK 0.25
61 HYPEYRRHIK 0.25
62 HWPEFRRHIK 0.25
63 HWPPYRRRIR 0.26
64 RWPPYRRHIR 0.26
65 HYPEFRRHIR 0.26
66 HYPPFRRRYK 0.26
67 RYPPFRRHYK 0.26
68 RWPRFRRHIK 0.26
69 HYPRYRRRIK 0.26
70 HYPEYRRRIK 0.27
71 RYPRYRRHIK 0.27
72 HWPEFRRRIK 0.27
73 HYPRFRRRIR 0.27
74 RYPRFRRHIR 0.27
75 RWPEFRRHIK 0.27
76 HYPEFRRRIR 0.28
77 RWPPYRRRIR 0.28
78 RYPPFRRRYK 0.28
79 KWPPYRRHIR 0.28
80 KWPRFRRHIK 0.28
81 KYPPFRRHYK 0.28
82 HYPPRRRHIK 0.28
83 RWPRFRRRIK 0.28
84 RYPEYRRHIK 0.28
85 KYPRYRRHIK 0.28
86 RYPEFRRHIR 0.28
87 RYPRFRRRIR 0.29
88 KWPEFRRHIK 0.29
89 RWPEFRRRIK 0.29
90 KYPRFRRHIR 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KYPPFRRRIR

4.19

-11.77

-7.58
2 HYPRFRRHIK

4.82

-12.38

-7.56
3 KYPPFRRRIK

4.43

-11.83

-7.4
4 KYPPFRRHIK

4.54

-11.75

-7.21
5 RYPPYRRHIK

4.44

-11.54

-7.1
6 KYPPYRRHIK

4.26

-11.34

-7.08
7 KYPPFRRHIR

4.29

-11.36

-7.07
8 KYPPYRRRIK

4.49

-11.55

-7.06
9 HYPPYRRHIR

4.54

-11.51

-6.97
10 HYPPYRRHIK

4.52

-11.4

-6.88
11 RWPPFRRHIK

4.54

-11.34

-6.8
12 RYPPFRRHIR

4.95

-11.68

-6.73
13 RYPPFRRHIK

4.74

-11.38

-6.64
14 HYPPYRRRIK

4.3

-10.86

-6.56
15 HYPPFRRHIR

4.67

-11.2

-6.53
16 KWPPFRRHIK

4.78

-11.3

-6.52
17 HYPPFRRRIK

4.74

-11.23

-6.49
18 HWPPYRRHIK

4.54

-11.03

-6.49
19 HYPPFRRRIR

5.23

-11.68

-6.45
20 HYPPFRRHIK

5.39

-11.69

-6.3
21 HWPPFRRHIR

4.86

-11.11

-6.25
22 RYPPFRRRIR

4.74

-10.92

-6.18
23 HWPPYRRRIK

4.48

-10.61

-6.13
24 KWPPFRRRIK

4.56

-10.46

-5.9
25 HWPPFRRRIK

4.42

-10.22

-5.8
26 RYPPFRRRIK

4.54

-10.19

-5.65
27 RWPPFRRRIK

4.68

-10.25

-5.57
28 HYPEFRRHIK

4.72

-10.28

-5.56
29 RYPPYRRRIK

4.33

-9.66

-5.33
30 HWPPFRRHIK

4.6

-9.88

-5.28

 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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