Predicted ligand sequences


ADAN-name: 1I8H2.PDB (view again the scoring matrix)

PDB name: [1I8H.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K V S V V R p P P K S P S
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
A
A
A
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 2.657 ΔGbinding -4.939
TOTAL
 -2.282
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -4.150 Torsional clash 1.640
Van der Waals -5.255 Backbone clash 0.000
Electrostatics -1.651 Helix dipole 0.000
Solvation Polar 8.208 Water bridges -0.359
Solvation Hyd -6.726 Disulfide 0.000
VdW clashes 0.377 Electrost. Kon -1.151
Entropy sc 2.057 Part.cov.bonds 0.000
Entropy mc

2.707

 ΔGstability

43.703
       

Predicted ligand sequences for template [1I8H2.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).
 
  1I8H2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KPRyMIEPWDDWy 0.0
2 KPRyMIEPPDDWy 0.0
3 sPRyMIEPPDDWy 0.01
4 HPRyMIEPWDDWy 0.02
5 HPRyMIEPPDDWy 0.02
6 sPRyMIEPWDDWy 0.02
7 KPRyMIEPMDDWy 0.07
8 KPRsMIEPWDDWy 0.07
9 KPRsMIEPPDDWy 0.07
10 sPRsMIEPPDDWy 0.08
11 KyRyMIEPPDDWy 0.09
12 KyRyMIEPWDDWy 0.09
13 KPRPMIEPWDDWy 0.09
14 sPRsMIEPWDDWy 0.09
15 HPRsMIEPPDDWy 0.09
16 HPRsMIEPWDDWy 0.09
17 sPRyMIEPMDDWy 0.09
18 KPRPMIEPPDDWy 0.09
19 sPRPMIEPPDDWy 0.1
20 sPRPMIEPWDDWy 0.1
21 HPRyMIEPMDDWy 0.1
22 HyRyMIEPWDDWy 0.11
23 HyRyMIEPPDDWy 0.11
24 syRyMIEPWDDWy 0.11
25 HPRPMIEPWDDWy 0.11
26 syRyMIEPPDDWy 0.11
27 HPRPMIEPPDDWy 0.11
28 KPRyMIEPPDDPy 0.13
29 KPRyMIEPWDDPy 0.14
30 KPRsMIEPMDDWy 0.14
31 KFRyMIEPPDDWy 0.15
32 sPRyMIEPPDDPy 0.15
33 sPRyMIEPWDDPy 0.15
34 sPRsMIEPMDDWy 0.16
35 KyRyMIEPMDDWy 0.16
36 KyRsMIEPPDDWy 0.16
37 HPRyMIEPWDDPy 0.16
38 KFRyMIEPWDDWy 0.16
39 KPRPMIEPMDDWy 0.16
40 HPRyMIEPPDDPy 0.16
41 KyRsMIEPWDDWy 0.16
42 sFRyMIEPWDDWy 0.17
43 HFRyMIEPPDDWy 0.17
44 syRsMIEPPDDWy 0.17
45 HPRsMIEPMDDWy 0.17
46 sFRyMIEPPDDWy 0.17
47 syRyMIEPMDDWy 0.18
48 HyRsMIEPWDDWy 0.18
49 HFRyMIEPWDDWy 0.18
50 sPRPMIEPMDDWy 0.18
51 HPRPMIEPMDDWy 0.18
52 KyRPMIEPPDDWy 0.18
53 KPyyMIEPPDDWy 0.18
54 KPRyMIEPPDDWW 0.18
55 HyRsMIEPPDDWy 0.18
56 KyRPMIEPWDDWy 0.18
57 syRsMIEPWDDWy 0.18
58 KPyyMIEPWDDWy 0.19
59 HyRyMIEPMDDWy 0.19
60 syRPMIEPPDDWy 0.19
61 KPRyMIEPWDDWW 0.19
62 syRPMIEPWDDWy 0.19
63 sPRyMIEPPDDWW 0.2
64 KPRsMIEPPDDPy 0.2
65 HPyyMIEPPDDWy 0.2
66 sPyyMIEPWDDWy 0.2
67 HPRyMIEPPDDWW 0.2
68 sPRyMIEPWDDWW 0.2
69 HyRPMIEPPDDWy 0.2
70 HyRPMIEPWDDWy 0.2
71 sPyyMIEPPDDWy 0.2
72 HPRyMIEPWDDWW 0.21
73 KPRyMIEPWDDWP 0.21
74 HPyyMIEPWDDWy 0.21
75 KPRyMIEPMDDPy 0.21
76 KPRyMIEPPDDWP 0.21
77 KPRsMIEPWDDPy 0.21
78 KPRPMIEPPDDPy 0.22
79 sPRsMIEPWDDPy 0.22
80 KFRsMIEPWDDWy 0.22
81 sPRyMIEPPDDWP 0.22
82 KPRPMIEPWDDPy 0.22
83 HPRsMIEPPDDPy 0.22
84 KyRyMIEPPDDPy 0.22
85 sPRyMIEPMDDPy 0.22
86 sPRsMIEPPDDPy 0.22
87 KFRsMIEPPDDWy 0.22
88 KFRyMIEPMDDWy 0.23
89 KyRsMIEPMDDWy 0.23
90 HPRyMIEPWDDWP 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KPRyMIEPWDDWy

2.8

-11.43

-8.63
2 syRyMIEPWDDWy

3.38

-10.72

-7.34
3 HPRsMIEPPDDWy

2.5

-9.17

-6.67
4 HyRyMIEPWDDWy

2.6

-9.25

-6.65
5 KPRPMIEPPDDWy

2.33

-8.72

-6.39
6 KyRyMIEPPDDWy

2.37

-8.72

-6.35
7 KPRyMIEPPDDWy

2.45

-8.72

-6.27
8 KPRsMIEPMDDWy

2.56

-8.6

-6.04
9 HPRPMIEPPDDWy

2.38

-8.36

-5.98
10 HyRyMIEPPDDWy

2.52

-8.47

-5.95
11 sPRPMIEPPDDWy

2.18

-8.11

-5.93
12 syRyMIEPPDDWy

2.31

-8.17

-5.86
13 KPRPMIEPWDDWy

2.49

-8.31

-5.82
14 KPRsMIEPWDDWy

2.8

-8.59

-5.79
15 HPRsMIEPWDDWy

2.63

-8.28

-5.65
16 KyRyMIEPWDDWy

2.81

-8.32

-5.51
17 KPRsMIEPPDDWy

2.29

-7.79

-5.5
18 KPRyMIEPWDDPy

2.22

-7.54

-5.32
19 KPRyMIEPPDDPy

2.09

-7.38

-5.29
20 HPRPMIEPWDDWy

2.54

-7.75

-5.21
21 sPRyMIEPMDDWy

2.88

-8.05

-5.17
22 sPRPMIEPWDDWy

2.55

-7.66

-5.11
23 HPRyMIEPWDDWy

3.16

-8.23

-5.07
24 HPRyMIEPPDDWy

2.3

-7.37

-5.07
25 sPRsMIEPPDDWy

2.57

-7.62

-5.05
26 sPRyMIEPWDDWy

2.42

-7.07

-4.65
27 sPRsMIEPWDDWy

2.61

-7.15

-4.54
28 KPRyMIEPMDDWy

2.51

-6.9

-4.39
29 HPRyMIEPMDDWy

2.82

-6.81

-3.99
30 sPRyMIEPPDDWy

2.68

-6.37

-3.69

 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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