Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-5.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 4.084 ΔGbinding -1.198
TOTAL
 2.886
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 2.121
Van der Waals -6.046 Backbone clash 0.125
Electrostatics -0.403 Helix dipole 0.000
Solvation Polar 5.615 Water bridges 0.001
Solvation Hyd -9.211 Disulfide 0.000
VdW clashes 6.058 Electrost. Kon -0.514
Entropy sc 1.124 Part.cov.bonds 0.000
Entropy mc

2.609

 ΔGstability

53.592
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 YKRWPPDPHF 0.0
2 YKRWPPDDHF 0.01
3 YRRWPPDPHF 0.1
4 YKHWPPDPHF 0.1
5 YKHWPPDDHF 0.11
6 YRRWPPDDHF 0.11
7 YKNWPPDPHF 0.15
8 YKNWPPDDHF 0.16
9 YKRWPPDRHF 0.17
10 YRHWPPDPHF 0.2
11 YKRWPPLPHF 0.21
12 YRHWPPDDHF 0.22
13 YKRWPPLDHF 0.22
14 YKRWRPDPHF 0.23
15 YKRWRPDDHF 0.24
16 YRNWPPDPHF 0.26
17 YRRWPPDRHF 0.27
18 YKHWPPDRHF 0.27
19 YRNWPPDDHF 0.27
20 YKRWKPDPHF 0.28
21 YKRWKPDDHF 0.29
22 YKHWPPLPHF 0.31
23 YKNWPPDRHF 0.32
24 YRRWPPLPHF 0.32
25 YRRWRPDPHF 0.33
26 YKHWPPLDHF 0.33
27 YKHWRPDPHF 0.33
28 YRRWPPLDHF 0.33
29 YRRWRPDDHF 0.35
30 YKRWPPDPKF 0.35
31 YKHWRPDDHF 0.35
32 YKRWPPDDKF 0.36
33 YKNWPPLPHF 0.36
34 YRHWPPDRHF 0.37
35 YRRWKPDPHF 0.38
36 YKHWKPDPHF 0.38
37 YKNWPPLDHF 0.38
38 YKNWRPDPHF 0.38
39 YKRWPPLRHF 0.38
40 YKRWRPDRHF 0.4
41 YKNWRPDDHF 0.4
42 YKHWKPDDHF 0.4
43 YRRWKPDDHF 0.4
44 YRNWPPDRHF 0.42
45 YRHWPPLPHF 0.42
46 YKRHPPDPHF 0.42
47 YRHWPPLDHF 0.43
48 YKNWKPDPHF 0.43
49 YKRHPPDDHF 0.43
50 YKRWRPLPHF 0.44
51 YRHWRPDPHF 0.44
52 YKRWKPDRHF 0.45
53 YRHWRPDDHF 0.45
54 YKHWPPDPKF 0.45
55 YKNWKPDDHF 0.45
56 YRRWPPDPKF 0.45
57 YKRWRPLDHF 0.46
58 YRRWPPDDKF 0.46
59 YKRWPPDPRF 0.46
60 YKHWPPDDKF 0.46
61 YKRWPPDDRF 0.47
62 YRNWPPLPHF 0.47
63 YRRWPPLRHF 0.48
64 YRNWPPLDHF 0.48
65 YKHWPPLRHF 0.48
66 YRNWRPDPHF 0.49
67 YRHWKPDPHF 0.49
68 YKRWKPLPHF 0.49
69 YRHWKPDDHF 0.5
70 YKHWRPDRHF 0.5
71 YKNWPPDPKF 0.5
72 YRNWRPDDHF 0.5
73 YRRWRPDRHF 0.5
74 YKRWPPDRKF 0.51
75 YKNWPPDDKF 0.51
76 YKRWKPLDHF 0.51
77 YKHHPPDPHF 0.52
78 YRRHPPDPHF 0.52
79 YRRHPPDDHF 0.53
80 YKNWPPLRHF 0.53
81 YKHHPPDDHF 0.53
82 YRNWKPDPHF 0.54
83 YKNWRPDRHF 0.55
84 YRRWKPDRHF 0.55
85 YRRWRPLPHF 0.55
86 YRNWKPDDHF 0.55
87 YKHWKPDRHF 0.55
88 YRHWPPDPKF 0.55
89 YKHWRPLPHF 0.55
90 YKRWPPLPKF 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YRRWRPDDHF

4.48

-13.76

-9.28
2 YRRWPPDDHF

2.97

-11.92

-8.95
3 YRHWPPDDHF

4.36

-12.5

-8.14
4 YKRWPPDDHF

4.45

-12.43

-7.98
5 YKRWRPDDHF

2.96

-10.65

-7.69
6 YKHWRPDPHF

3.21

-10.84

-7.63
7 YRNWPPDPHF

4.04

-11.38

-7.34
8 YKHWPPLDHF

3.68

-11.02

-7.34
9 YKRWRPDPHF

3.41

-10.48

-7.07
10 YKNWPPDDHF

5.36

-12.35

-6.99
11 YRHWPPDPHF

2.69

-9.66

-6.97
12 YRRWPPDRHF

3.89

-10.86

-6.97
13 YRRWPPDPHF

3.74

-10.7

-6.96
14 YKRWPPDRHF

2.61

-9.53

-6.92
15 YKHWPPDPHF

3.13

-9.75

-6.62
16 YKRWKPDDHF

3.75

-10.31

-6.56
17 YKRWPPLPHF

3.44

-10.0

-6.56
18 YRRWPPLPHF

3.75

-10.26

-6.51
19 YKHWPPDRHF

3.52

-9.81

-6.29
20 YKRWPPLDHF

4.13

-10.36

-6.23
21 YRRWPPLDHF

4.69

-10.91

-6.22
22 YKRWPPDPHF

3.62

-9.81

-6.19
23 YKHWPPDDHF

3.88

-9.83

-5.95
24 YKRWKPDPHF

3.54

-9.47

-5.93
25 YKNWPPDRHF

3.41

-9.28

-5.87
26 YRRWRPDPHF

5.61

-11.4

-5.79
27 YKRWPPDPKF

3.81

-9.13

-5.32
28 YKHWPPLPHF

4.56

-9.72

-5.16
29 YKNWPPDPHF

3.61

-8.69

-5.08
30 YRNWPPDDHF

4.29

-8.91

-4.62

 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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