Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-16.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 5.762 ΔGbinding 5.975
TOTAL
 11.737
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.544
Van der Waals -3.935 Backbone clash 0.229
Electrostatics 0.700 Helix dipole 0.000
Solvation Polar 5.098 Water bridges -0.124
Solvation Hyd -5.156 Disulfide 0.000
VdW clashes 5.622 Electrost. Kon 0.588
Entropy sc 0.899 Part.cov.bonds 0.000
Entropy mc

3.016

 ΔGstability

33.324
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPIPSRHF 0.0
2 FPPIPGRHF 0.04
3 FPPIKSRHF 0.12
4 FPPIKGRHF 0.16
5 FPPIHSRHF 0.2
6 FPFIPSRHF 0.21
7 FPPIFSRHF 0.22
8 FPPIDSRHF 0.23
9 FPPIHGRHF 0.24
10 FPFIPGRHF 0.25
11 FPRIPSRHF 0.26
12 FPPIFGRHF 0.26
13 FPPIDGRHF 0.27
14 FPHIPSRHF 0.27
15 FPYIPSRHF 0.28
16 FPRIPGRHF 0.29
17 FPHIPGRHF 0.31
18 FPYIPGRHF 0.32
19 FPFIKSRHF 0.33
20 FPFIKGRHF 0.37
21 FPRIKSRHF 0.38
22 FPHIKSRHF 0.4
23 FPFIHSRHF 0.4
24 FPYIKSRHF 0.41
25 FPFIFSRHF 0.42
26 FPRIKGRHF 0.42
27 FPHIKGRHF 0.43
28 FPFIDSRHF 0.43
29 FPFIHGRHF 0.44
30 FPRIHSRHF 0.45
31 FPYIKGRHF 0.45
32 FPFIFGRHF 0.46
33 FPRIFSRHF 0.47
34 FPFIDGRHF 0.47
35 FPHIHSRHF 0.47
36 FPRIDSRHF 0.48
37 FPYIHSRHF 0.48
38 FPRIHGRHF 0.49
39 FPHIFSRHF 0.49
40 FPHIDSRHF 0.5
41 FPYIFSRHF 0.5
42 FPHIHGRHF 0.51
43 FPRIFGRHF 0.51
44 FPYIDSRHF 0.51
45 FPYIHGRHF 0.52
46 FPRIDGRHF 0.52
47 FPHIFGRHF 0.53
48 FPHIDGRHF 0.54
49 FPYIFGRHF 0.54
50 FPYIDGRHF 0.55
51 FPPIPSRYF 0.6
52 FPPIPGRYF 0.64
53 FPPIKSRYF 0.73
54 FPPIKGRYF 0.77
55 FPPIHSRYF 0.8
56 FPFIPSRYF 0.81
57 FPPIFSRYF 0.82
58 FPPIDSRYF 0.83
59 FPPIHGRYF 0.84
60 FPFIPGRYF 0.85
61 FPRIPSRYF 0.86
62 FPPIFGRYF 0.86
63 FPHIPSRYF 0.87
64 FPPIDGRYF 0.87
65 FPYIPSRYF 0.89
66 FPRIPGRYF 0.9
67 FPHIPGRYF 0.91
68 FPYIPGRYF 0.93
69 FPFIKSRYF 0.93
70 FPFIKGRYF 0.97
71 FPRIKSRYF 0.98
72 FPHIKSRYF 1.0
73 FPFIHSRYF 1.0
74 FPYIKSRYF 1.01
75 FPRIKGRYF 1.02
76 FPFIFSRYF 1.03
77 FPFIDSRYF 1.03
78 FPHIKGRYF 1.04
79 FPFIHGRYF 1.04
80 FPRIHSRYF 1.05
81 FPYIKGRYF 1.05
82 FPFIDGRYF 1.07
83 FPRIFSRYF 1.07
84 FPHIHSRYF 1.07
85 FPFIFGRYF 1.07
86 FPRIDSRYF 1.08
87 FPYIHSRYF 1.08
88 FPHIFSRYF 1.09
89 FPRIHGRYF 1.09
90 FPYIFSRYF 1.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPIFGRHF

5.45

-6.37

-0.92
2 FPPIDGRHF

5.75

-5.89

-0.14
3 FPPIKGRHF

6.41

-5.54

0.87
4 FPPIKSRHF

7.77

-6.88

0.89
5 FPRIPGRHF

6.46

-5.57

0.89
6 FPHIPGRHF

5.64

-4.68

0.96
7 FPFIPGRHF

6.34

-5.31

1.03
8 FPFIKGRHF

5.61

-4.33

1.28
9 FPPIPGRHF

7.07

-5.78

1.29
10 FPYIPGRHF

6.49

-4.99

1.5
11 FPFIHGRHF

6.56

-5.06

1.5
12 FPHIKGRHF

5.43

-3.92

1.51
13 FPPIFSRHF

8.25

-6.57

1.68
14 FPRIKSRHF

7.8

-6.0

1.8
15 FPRIPSRHF

7.65

-5.61

2.04
16 FPPIPSRHF

8.09

-5.98

2.11
17 FPPIDSRHF

8.11

-5.82

2.29
18 FPHIPSRHF

7.47

-5.1

2.37
19 FPPIHGRHF

7.94

-5.52

2.42
20 FPYIPSRHF

8.03

-5.54

2.49
21 FPPIHSRHF

7.41

-4.66

2.75
22 FPFIKSRHF

8.39

-5.53

2.86
23 FPRIKGRHF

7.74

-4.85

2.89
24 FPFIHSRHF

7.95

-5.01

2.94
25 FPHIKSRHF

8.58

-5.32

3.26
26 FPFIPSRHF

8.65

-5.27

3.38
27 FPRIHSRHF

9.48

-6.1

3.38
28 FPFIDSRHF

9.58

-5.51

4.07
29 FPYIKSRHF

8.89

-4.77

4.12
30 FPFIFSRHF

8.3

-2.21

6.09

 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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