Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-19.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
poly-Ala A
A
A
A
A
G
 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 2.632 ΔGbinding 3.414
TOTAL
 6.046
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.246
Van der Waals -4.543 Backbone clash 0.088
Electrostatics 0.404 Helix dipole 0.000
Solvation Polar 5.193 Water bridges -0.076
Solvation Hyd -6.045 Disulfide 0.000
VdW clashes 2.802 Electrost. Kon 0.368
Entropy sc 0.501 Part.cov.bonds 0.000
Entropy mc

4.564

 ΔGstability

24.484
       

Predicted ligand sequences for model [BZZ1-D2_2A28-19.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_2A28-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 FKKKRGRHY 0.0
2 FKRKRGRHY 0.08
3 FKKKRGYHY 0.09
4 YKKKRGRHY 0.16
5 FKFKRGRHY 0.17
6 FKRKRGYHY 0.17
7 FKKKYGRHY 0.19
8 FKKKRGRRY 0.2
9 YKRKRGRHY 0.24
10 YKKKRGYHY 0.25
11 FKFKRGYHY 0.26
12 FKRKYGRHY 0.27
13 FKRKRGRRY 0.28
14 FKKKYGYHY 0.28
15 FKKKRGYRY 0.29
16 FKKKRGKHY 0.3
17 YKRKRGYHY 0.33
18 YKFKRGRHY 0.34
19 WKKKRGRHY 0.34
20 YKKKYGRHY 0.35
21 FKRKYGYHY 0.35
22 FKFKYGRHY 0.36
23 YKKKRGRRY 0.36
24 FKRKRGYRY 0.37
25 FKFKRGRRY 0.37
26 FKRKRGKHY 0.38
27 FKKKYGRRY 0.39
28 WKRKRGRHY 0.42
29 YKFKRGYHY 0.43
30 YKRKYGRHY 0.43
31 WKKKRGYHY 0.43
32 YKKKYGYHY 0.44
33 YKRKRGRRY 0.44
34 FKFKYGYHY 0.45
35 YKKKRGYRY 0.45
36 FKFKRGYRY 0.46
37 YKKKRGKHY 0.47
38 FKRKYGRRY 0.47
39 FKKKYGYRY 0.48
40 FKFKRGKHY 0.48
41 FKKKRGRSY 0.48
42 FKKKYGKHY 0.49
43 FKKKRGKRY 0.5
44 WKRKRGYHY 0.51
45 YKFKYGRHY 0.52
46 YKRKYGYHY 0.52
47 WKFKRGRHY 0.52
48 YKRKRGYRY 0.53
49 WKKKYGRHY 0.53
50 WKKKRGRRY 0.54
51 YKFKRGRRY 0.54
52 YKRKRGKHY 0.54
53 FKRKYGYRY 0.55
54 YKKKYGRRY 0.55
55 FKRKRGRSY 0.56
56 FKFKYGRRY 0.56
57 FKKKRGYSY 0.57
58 FKRKYGKHY 0.57
59 FKRKRGKRY 0.58
60 WKFKRGYHY 0.6
61 YKFKYGYHY 0.61
62 WKRKYGRHY 0.61
63 WKKKYGYHY 0.62
64 WKRKRGRRY 0.62
65 YKFKRGYRY 0.63
66 WKKKRGYRY 0.63
67 YKRKYGRRY 0.63
68 YKFKRGKHY 0.64
69 YKKKRGRSY 0.64
70 YKKKYGYRY 0.64
71 WKKKRGKHY 0.65
72 FKFKRGRSY 0.65
73 FKFKYGYRY 0.65
74 YKKKYGKHY 0.65
75 FKRKRGYSY 0.65
76 FKFKYGKHY 0.66
77 YKKKRGKRY 0.67
78 FKKKYGRSY 0.67
79 FKFKRGKRY 0.68
80 FKKKYGKRY 0.69
81 WKFKYGRHY 0.7
82 WKRKYGYHY 0.7
83 WKRKRGYRY 0.71
84 YKFKYGRRY 0.72
85 YKRKYGYRY 0.72
86 WKFKRGRRY 0.72
87 WKRKRGKHY 0.72
88 YKRKRGRSY 0.72
89 YKRKYGKHY 0.73
90 YKKKRGYSY 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YKKKRGRHY

5.56

-9.36

-3.8
2 FKKKRGKHY

5.32

-9.08

-3.76
3 FKFKRGRRY

4.94

-7.84

-2.9
4 YKRKRGRHY

5.11

-7.86

-2.75
5 FKKKRGRHY

5.15

-7.73

-2.58
6 FKRKRGKHY

4.28

-6.84

-2.56
7 FKRKYGYHY

4.99

-7.5

-2.51
8 FKKKYGRRY

4.98

-7.48

-2.5
9 WKRKRGRHY

4.1

-6.58

-2.48
10 FKKKYGRHY

5.54

-7.99

-2.45
11 FKRKRGRHY

3.94

-6.23

-2.29
12 FKKKRGYHY

4.96

-7.03

-2.07
13 YKRKYGRHY

4.76

-6.66

-1.9
14 FKFKRGRHY

4.97

-6.84

-1.87
15 YKKKYGRHY

5.6

-7.28

-1.68
16 FKFKYGRHY

4.74

-6.25

-1.51
17 YKKKRGYHY

4.6

-6.02

-1.42
18 FKRKRGYHY

5.49

-6.89

-1.4
19 YKRKRGYHY

5.1

-6.43

-1.33
20 YKFKRGRHY

4.81

-5.9

-1.09
21 FKKKRGRRY

5.67

-6.75

-1.08
22 FKRKRGRRY

4.69

-5.72

-1.03
23 YKFKRGYHY

4.38

-5.21

-0.83
24 WKKKRGRHY

4.83

-5.44

-0.61
25 YKKKRGRRY

4.71

-5.23

-0.52
26 FKRKYGRHY

4.9

-5.42

-0.52
27 FKFKRGYHY

5.75

-5.78

-0.03
28 FKKKYGYHY

4.62

-3.94

0.68
29 FKRKRGYRY

4.61

-3.74

0.87
30 FKKKRGYRY

5.63

-4.61

1.02

 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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