Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-2.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 7.722 ΔGbinding -2.227
TOTAL
 5.495
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.004
Van der Waals -5.604 Backbone clash 0.033
Electrostatics -0.484 Helix dipole 0.000
Solvation Polar 5.960 Water bridges 0.007
Solvation Hyd -8.133 Disulfide 0.000
VdW clashes 3.285 Electrost. Kon -0.592
Entropy sc 0.887 Part.cov.bonds 0.000
Entropy mc

2.718

 ΔGstability

85.186
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-2.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_G2B-ABO-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHRHWFPDNW 0.0
2 FHRHWFPDRW 0.04
3 FHKHWFPDNW 0.1
4 FHKHWFPDRW 0.14
5 FHRHMFPDNW 0.17
6 FHRHKFPDNW 0.19
7 FHRHMFPDRW 0.21
8 FHRHWFPHNW 0.22
9 FHRHKFPDRW 0.23
10 FHRHWFPPNW 0.23
11 FPRHWFPDNW 0.26
12 FHRHWFPHRW 0.27
13 FHRHWFPPRW 0.27
14 FHKHMFPDNW 0.27
15 FHKHKFPDNW 0.29
16 FHRHWFPDNP 0.3
17 FPRHWFPDRW 0.31
18 FHKHMFPDRW 0.31
19 FHKHKFPDRW 0.33
20 FHKHWFPHNW 0.33
21 FHKHWFPPNW 0.33
22 FHRHWFPDRP 0.34
23 FHHHWFPDNW 0.36
24 FHKHWFPPRW 0.37
25 FHKHWFPHRW 0.37
26 FPKHWFPDNW 0.37
27 FHRHMFPHNW 0.39
28 FHRHMFPPNW 0.39
29 FHKHWFPDNP 0.4
30 FHHHWFPDRW 0.4
31 FHRHWFPDAW 0.4
32 FPKHWFPDRW 0.41
33 FHRHKFPHNW 0.41
34 FHRHKFPPNW 0.42
35 FHRHMFPHRW 0.43
36 FPRHMFPDNW 0.43
37 FHRHMFPPRW 0.43
38 FHRHWFPDNR 0.44
39 FHKHWFPDRP 0.44
40 FHRHWFMDNW 0.44
41 FHRHKFPHRW 0.45
42 FPRHKFPDNW 0.45
43 FHRHKFPPRW 0.46
44 FHRHMFPDNP 0.46
45 FPRHMFPDRW 0.47
46 FHRHKFPDNP 0.48
47 FHRHWFPDRR 0.48
48 FHRHWFMDRW 0.48
49 FHKHMFPPNW 0.49
50 FPRHWFPHNW 0.49
51 FPRHKFPDRW 0.49
52 FPRHWFPPNW 0.49
53 FHKHMFPHNW 0.49
54 FHRHMFPDRP 0.5
55 FHKHWFPDAW 0.5
56 FHKHKFPHNW 0.51
57 FHRHWFPHNP 0.52
58 FHKHKFPPNW 0.52
59 FHRHWFPPNP 0.52
60 FHHHMFPDNW 0.53
61 FHRHKFPDRP 0.53
62 FPRHWFPPRW 0.53
63 FPKHMFPDNW 0.53
64 FPRHWFPHRW 0.53
65 FHKHMFPHRW 0.53
66 FHKHMFPPRW 0.54
67 FHKHWFMDNW 0.54
68 FHKHWFPDNR 0.55
69 FPKHKFPDNW 0.55
70 FHHHKFPDNW 0.55
71 FHRHWFPHRP 0.56
72 FPRHWFPDNP 0.56
73 FHKHKFPPRW 0.56
74 FHRHWFPPRP 0.56
75 FHRHMFPDAW 0.56
76 FHKHMFPDNP 0.56
77 FHKHKFPHRW 0.56
78 FPKHMFPDRW 0.57
79 FHHHMFPDRW 0.57
80 FHHHWFPHNW 0.58
81 FHKHWFMDRW 0.59
82 FHKHKFPDNP 0.59
83 FHRHKFPDAW 0.59
84 FPKHWFPPNW 0.59
85 FHHHWFPPNW 0.59
86 FHHHKFPDRW 0.59
87 FPKHWFPHNW 0.59
88 FHKHWFPDRR 0.59
89 FPKHKFPDRW 0.6
90 FPRHWFPDRP 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPRHWFPDNW

5.52

-10.34

-4.82
2 FPKHWFPDNW

5.63

-10.45

-4.82
3 FHKHWFPDNP

5.71

-9.38

-3.67
4 FPRHWFPDRW

5.85

-9.19

-3.34
5 FHRHWFPHRW

5.18

-8.52

-3.34
6 FHRHWFPDRP

5.51

-8.8

-3.29
7 FHRHKFPDNW

5.65

-8.62

-2.97
8 FHRHKFPDRW

5.4

-8.35

-2.95
9 FHRHMFPDRW

5.42

-8.23

-2.81
10 FHRHWFPDNW

5.89

-8.68

-2.79
11 FHRHMFPPNW

6.34

-9.05

-2.71
12 FHHHWFPDNW

5.36

-8.02

-2.66
13 FHRHWFPPRW

5.33

-7.97

-2.64
14 FHRHWFPDNP

6.36

-8.94

-2.58
15 FHKHKFPDRW

6.14

-8.7

-2.56
16 FHRHWFPDRW

5.75

-8.26

-2.51
17 FHRHWFPPNW

6.21

-8.71

-2.5
18 FHKHWFPPRW

4.89

-7.38

-2.49
19 FHKHWFPDNW

6.01

-8.47

-2.46
20 FHRHMFPHNW

5.68

-8.04

-2.36
21 FHKHMFPDRW

5.71

-7.99

-2.28
22 FHKHMFPDNW

5.48

-7.65

-2.17
23 FHKHKFPDNW

5.91

-7.97

-2.06
24 FHKHWFPHRW

5.17

-7.06

-1.89
25 FHKHWFPDRW

5.04

-6.83

-1.79
26 FHKHWFPPNW

5.73

-7.22

-1.49
27 FHRHWFPHNW

5.98

-7.31

-1.33
28 FHRHMFPDNW

6.34

-7.45

-1.11
29 FHKHWFPHNW

5.8

-6.69

-0.89
30 FHHHWFPDRW

6.52

-7.06

-0.54

 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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