Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-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 1.542 ΔGbinding -1.341
TOTAL
 0.201
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.323
Van der Waals -3.582 Backbone clash 0.000
Electrostatics 0.445 Helix dipole 0.000
Solvation Polar 3.829 Water bridges -0.017
Solvation Hyd -4.832 Disulfide 0.000
VdW clashes 0.281 Electrost. Kon 0.449
Entropy sc 0.405 Part.cov.bonds 0.000
Entropy mc

2.632

 ΔGstability

48.459
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-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).
 
  BZZ1-D2_G2B-ABO-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 KFPIPPRW 0.0
2 KMPIPPRW 0.01
3 KRPIPPRW 0.01
4 KFWIPPRW 0.01
5 KMWIPPRW 0.02
6 KRWIPPRW 0.02
7 KFFIPPRW 0.04
8 KMFIPPRW 0.04
9 KRFIPPRW 0.05
10 KFPIPRRW 0.17
11 KMPIPRRW 0.18
12 KRPIPRRW 0.18
13 KFWIPRRW 0.19
14 KMWIPRRW 0.19
15 KRWIPRRW 0.2
16 KFFIPRRW 0.21
17 KRFIPRRW 0.22
18 KMFIPRRW 0.22
19 KFPIPFRW 0.23
20 KRPIPFRW 0.24
21 KMPIPFRW 0.24
22 KMWIPFRW 0.25
23 KFWIPFRW 0.25
24 KRWIPFRW 0.26
25 KFFIPFRW 0.27
26 KMFIPFRW 0.28
27 KRFIPFRW 0.28
28 KMPIPPRM 0.31
29 KFPIPPRM 0.31
30 KRPIPPRM 0.32
31 KFWIPPRM 0.32
32 KMWIPPRM 0.33
33 KRWIPPRM 0.33
34 KFFIPPRM 0.34
35 KMPIRPRW 0.34
36 KFPIRPRW 0.34
37 KFPIPPRF 0.34
38 KMPIPPRF 0.34
39 KRFIPPRM 0.35
40 KRPIPPRF 0.35
41 KRPIRPRW 0.35
42 KFWIPPRF 0.35
43 KMFIPPRM 0.35
44 KFWIRPRW 0.35
45 KMWIRPRW 0.36
46 KRWIRPRW 0.36
47 KMWIPPRF 0.36
48 KRWIPPRF 0.36
49 KFPIIPRW 0.36
50 KFFIPPRF 0.37
51 KMPIIPRW 0.37
52 KRPIIPRW 0.37
53 KRFIPPRF 0.38
54 KFFIRPRW 0.38
55 KMFIRPRW 0.38
56 KMWIIPRW 0.38
57 KFWIIPRW 0.38
58 KMFIPPRF 0.38
59 KRWIIPRW 0.39
60 KRFIRPRW 0.39
61 KFFIIPRW 0.4
62 KMFIIPRW 0.4
63 KRFIIPRW 0.41
64 LMPIPPRW 0.46
65 LRPIPPRW 0.46
66 LFPIPPRW 0.46
67 LFWIPPRW 0.47
68 LMWIPPRW 0.47
69 KFPIPRRM 0.48
70 LRWIPPRW 0.48
71 LFFIPPRW 0.49
72 KMPIPRRM 0.49
73 KRPIPRRM 0.49
74 LMFIPPRW 0.5
75 KFWIPRRM 0.5
76 KMWIPRRM 0.5
77 LRFIPPRW 0.5
78 KFPIPRRF 0.51
79 KFPIRRRW 0.51
80 KRWIPRRM 0.51
81 KMPIPRRF 0.52
82 KRPIPRRF 0.52
83 KFFIPRRM 0.52
84 KMFIPRRM 0.52
85 KRPIRRRW 0.52
86 KMPIRRRW 0.52
87 KRFIPRRM 0.53
88 KFWIPRRF 0.53
89 KMWIPRRF 0.53
90 KFWIRRRW 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KMPIPFRW

1.84

-9.46

-7.62
2 KRPIPPRW

1.82

-9.44

-7.62
3 KMFIPPRW

1.94

-9.46

-7.52
4 KMWIPPRW

2.26

-9.76

-7.5
5 KMPIPPRM

1.73

-9.2

-7.47
6 KMPIPPRW

1.88

-9.29

-7.41
7 KMWIPFRW

1.73

-9.0

-7.27
8 KRWIPRRW

1.91

-9.17

-7.26
9 KMWIPRRW

1.87

-9.09

-7.22
10 KFPIPFRW

1.84

-8.93

-7.09
11 KRPIPFRW

1.84

-8.92

-7.08
12 KRWIPPRW

2.17

-9.2

-7.03
13 KMFIPFRW

1.94

-8.95

-7.01
14 KRFIPRRW

2.07

-8.99

-6.92
15 KRFIPFRW

2.0

-8.92

-6.92
16 KMPIPRRW

2.15

-9.03

-6.88
17 KFPIPPRW

1.64

-8.48

-6.84
18 KFPIPRRW

2.05

-8.89

-6.84
19 KFWIPRRW

2.07

-8.88

-6.81
20 KFFIPPRW

1.83

-8.59

-6.76
21 KFFIPRRW

2.11

-8.75

-6.64
22 KMFIPRRW

2.53

-9.11

-6.58
23 KRFIPPRW

2.09

-8.67

-6.58
24 KFPIPPRM

1.93

-8.5

-6.57
25 KRPIPRRW

2.25

-8.82

-6.57
26 KRPIPPRM

2.22

-8.7

-6.48
27 KFWIPPRW

1.85

-8.27

-6.42
28 KFFIPFRW

2.5

-8.92

-6.42
29 KRWIPFRW

2.22

-7.96

-5.74
30 KFWIPFRW

2.51

-8.06

-5.55

 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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