Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-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 11.636 ΔGbinding -0.913
TOTAL
 10.723
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.472
Van der Waals -4.600 Backbone clash 5.706
Electrostatics 0.232 Helix dipole 0.000
Solvation Polar 5.382 Water bridges 0.008
Solvation Hyd -5.704 Disulfide 0.000
VdW clashes 2.057 Electrost. Kon 0.234
Entropy sc 0.664 Part.cov.bonds 0.000
Entropy mc

3.393

 ΔGstability

29.121
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-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-D1_1ZUU-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 KWYKDFRH 0.0
2 KWYKRFRH 0.01
3 RWYKDFRH 0.08
4 RWYKRFRH 0.09
5 KWFKDFRH 0.1
6 KWFKRFRH 0.11
7 KWWKDFRH 0.14
8 KWWKRFRH 0.15
9 RWFKDFRH 0.18
10 RWFKRFRH 0.19
11 FWYKRFRH 0.21
12 FWYKDFRH 0.21
13 RWWKDFRH 0.22
14 KHYKRFRH 0.23
15 KHYKDFRH 0.23
16 KWYKRYRH 0.23
17 KLYKDFRH 0.23
18 RWWKRFRH 0.23
19 KWYKDYRH 0.23
20 KLYKRFRH 0.24
21 RWYKDYRH 0.3
22 RHYKDFRH 0.3
23 FWFKRFRH 0.31
24 RLYKDFRH 0.31
25 FWFKDFRH 0.31
26 RWYKRYRH 0.31
27 RHYKRFRH 0.31
28 RLYKRFRH 0.32
29 KHFKRFRH 0.33
30 KWFKRYRH 0.33
31 KWFKDYRH 0.33
32 KLFKDFRH 0.33
33 KHFKDFRH 0.33
34 KLFKRFRH 0.34
35 FWWKDFRH 0.34
36 FWWKRFRH 0.35
37 KHWKDFRH 0.36
38 KWWKDYRH 0.36
39 KWWKRYRH 0.37
40 KLWKDFRH 0.37
41 KHWKRFRH 0.37
42 KLWKRFRH 0.38
43 RHFKDFRH 0.41
44 RWFKRYRH 0.41
45 RHFKRFRH 0.41
46 RLFKDFRH 0.41
47 RWFKDYRH 0.41
48 RLFKRFRH 0.42
49 FHYKDFRH 0.43
50 FWYKDYRH 0.43
51 FWYKRYRH 0.44
52 FHYKRFRH 0.44
53 RWWKDYRH 0.44
54 FLYKRFRH 0.44
55 RHWKDFRH 0.44
56 FLYKDFRH 0.44
57 RLWKDFRH 0.45
58 RWWKRYRH 0.45
59 KWYKRRRH 0.45
60 KHYKDYRH 0.45
61 KWYKDRRH 0.45
62 RHWKRFRH 0.45
63 KLYKRYRH 0.46
64 KHYKRYRH 0.46
65 KLYKDYRH 0.46
66 RLWKRFRH 0.46
67 KWYKDFRF 0.5
68 KWYKRFRF 0.51
69 FHFKDFRH 0.53
70 FWFKDYRH 0.53
71 RHYKDYRH 0.53
72 RWYKDRRH 0.53
73 RWYKRRRH 0.53
74 RLYKRYRH 0.54
75 FWFKRYRH 0.54
76 RLYKDYRH 0.54
77 FLFKRFRH 0.54
78 FLFKDFRH 0.54
79 FHFKRFRH 0.54
80 RHYKRYRH 0.54
81 KWFKRRRH 0.55
82 KHFKDYRH 0.55
83 KWFKDRRH 0.55
84 KLFKDYRH 0.56
85 KHFKRYRH 0.56
86 KLFKRYRH 0.56
87 FLWKDFRH 0.57
88 FWWKDYRH 0.57
89 FHWKDFRH 0.57
90 FWWKRYRH 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWYKRFRH

7.57

-5.29

2.28
2 KLYKDFRH

8.47

-6.08

2.39
3 FWFKRFRH

7.6

-5.16

2.44
4 KWWKRFRH

7.44

-4.86

2.58
5 RWFKDFRH

8.79

-6.19

2.6
6 RLYKRFRH

7.75

-5.14

2.61
7 RWYKDYRH

8.76

-5.96

2.8
8 RWWKDFRH

6.46

-3.65

2.81
9 KWFKRYRH

7.68

-4.79

2.89
10 RWWKRFRH

8.16

-5.27

2.89
11 RLYKDFRH

8.84

-5.93

2.91
12 KWFKRFRH

7.64

-4.72

2.92
13 KWYKRYRH

7.56

-4.62

2.94
14 KWYKDYRH

8.74

-5.67

3.07
15 RWYKRFRH

7.94

-4.84

3.1
16 RWYKDFRH

8.78

-5.64

3.14
17 KWWKDFRH

6.55

-3.34

3.21
18 KWYKRFRH

7.81

-4.44

3.37
19 KLYKRFRH

7.26

-3.82

3.44
20 KWFKDFRH

8.62

-5.1

3.52
21 RHYKRFRH

7.27

-3.61

3.66
22 RWFKRFRH

7.79

-4.06

3.73
23 FWFKDFRH

7.74

-3.92

3.82
24 KHFKRFRH

7.3

-3.45

3.85
25 RWYKRYRH

7.72

-3.77

3.95
26 KWYKDFRH

8.71

-4.52

4.19
27 KHYKRFRH

7.45

-3.04

4.41
28 FWYKDFRH

7.64

-3.02

4.62
29 RHYKDFRH

7.81

-2.91

4.9
30 KHYKDFRH

7.59

-2.35

5.24

 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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