Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-16.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 1.774 ΔGbinding 7.482
TOTAL
 9.256
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.547
Van der Waals -4.015 Backbone clash 0.147
Electrostatics 0.637 Helix dipole 0.000
Solvation Polar 5.276 Water bridges -0.082
Solvation Hyd -6.037 Disulfide 0.000
VdW clashes 4.177 Electrost. Kon 0.843
Entropy sc 1.505 Part.cov.bonds 0.000
Entropy mc

6.406

 ΔGstability

17.154
       

Predicted ligand sequences for model [BBC1_1TG0-16.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).
 
  BBC1_1TG0-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPHLSSRRA 0.0
2 WPHLSSRRA 0.08
3 FPHISSRRA 0.1
4 FPHLRSRRA 0.14
5 FPHLSSIRA 0.14
6 WPHISSRRA 0.19
7 FPHLSGRRA 0.2
8 WPHLRSRRA 0.22
9 WPHLSSIRA 0.23
10 FPHIRSRRA 0.24
11 FPHISSIRA 0.25
12 WPHLSGRRA 0.28
13 FPHLRSIRA 0.28
14 FPHISGRRA 0.3
15 FPHLNSRRA 0.32
16 WPHIRSRRA 0.32
17 FRHLSSRRA 0.33
18 WPHISSIRA 0.33
19 FPHLSGIRA 0.34
20 FPHLRGRRA 0.34
21 WPHLRSIRA 0.36
22 FPDLSSRRA 0.36
23 RPHLSSRRA 0.37
24 FPHIRSIRA 0.39
25 WPHISGRRA 0.39
26 WRHLSSRRA 0.41
27 WPHLNSRRA 0.41
28 FPHLSSHRA 0.41
29 WPHLRGRRA 0.42
30 FRHISSRRA 0.43
31 FPHINSRRA 0.43
32 WPHLSGIRA 0.43
33 FPHIRGRRA 0.44
34 WPDLSSRRA 0.45
35 FPHISGIRA 0.45
36 FRHLRSRRA 0.46
37 FRHLSSIRA 0.47
38 FPHLNSIRA 0.47
39 RPHISSRRA 0.47
40 WPHIRSIRA 0.47
41 FPDISSRRA 0.47
42 FPHLRGIRA 0.48
43 WPHLSSHRA 0.49
44 RPHLRSRRA 0.5
45 FPDLRSRRA 0.5
46 RPHLSSIRA 0.51
47 WPHINSRRA 0.51
48 WRHISSRRA 0.51
49 FPDLSSIRA 0.51
50 FPHISSHRA 0.51
51 FPHLNGRRA 0.52
52 WPHIRGRRA 0.52
53 FRHLSGRRA 0.53
54 WPHISGIRA 0.53
55 FPHLRSHRA 0.54
56 WRHLRSRRA 0.54
57 WPHLNSIRA 0.55
58 WRHLSSIRA 0.55
59 WPDISSRRA 0.55
60 WPHLRGIRA 0.56
61 FPDLSGRRA 0.56
62 FRHIRSRRA 0.56
63 RPHLSGRRA 0.57
64 FRHISSIRA 0.57
65 FPHINSIRA 0.57
66 FPHIRGIRA 0.58
67 WPDLRSRRA 0.58
68 WPHISSHRA 0.59
69 WPDLSSIRA 0.59
70 FPDIRSRRA 0.6
71 FRHLRSIRA 0.6
72 RPHIRSRRA 0.61
73 FPHLSGHRA 0.61
74 FPDISSIRA 0.61
75 WPHLNGRRA 0.61
76 WRHLSGRRA 0.61
77 RPHISSIRA 0.62
78 WPHLRSHRA 0.62
79 FPHINGRRA 0.63
80 FRHISGRRA 0.63
81 FPDLRSIRA 0.64
82 WPDLSGRRA 0.65
83 FPHIRSHRA 0.65
84 WRHIRSRRA 0.65
85 RPHLRSIRA 0.65
86 FRHLNSRRA 0.65
87 WPHINSIRA 0.66
88 FRHLRGRRA 0.66
89 WRHISSIRA 0.66
90 FRHLSGIRA 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPHISGRRA

1.9

-5.09

-3.19
2 FPHLRGRRA

1.87

-4.96

-3.09
3 FPHLSGIRA

1.78

-4.27

-2.49
4 WPHISGRRA

1.61

-4.09

-2.48
5 FPHLSGRRA

1.95

-4.22

-2.27
6 WPHLRGRRA

1.9

-3.99

-2.09
7 WPHLSGRRA

1.78

-3.16

-1.38
8 FPHIRSRRA

3.57

-4.58

-1.01
9 FPHLRSRRA

3.49

-4.28

-0.79
10 WPHIRSRRA

3.58

-4.32

-0.74
11 RPHLSSRRA

3.17

-3.88

-0.71
12 FPHISSRRA

3.65

-4.35

-0.7
13 FPHLNSRRA

3.57

-4.22

-0.65
14 FPHLSSRRA

3.51

-4.02

-0.51
15 WPHLSSRRA

3.62

-4.01

-0.39
16 WPHISSRRA

3.46

-3.79

-0.33
17 FPDLSSRRA

3.52

-3.74

-0.22
18 FPHIRSIRA

3.88

-4.02

-0.14
19 FPHLSSHRA

3.58

-3.71

-0.13
20 WPHLRSRRA

3.4

-3.5

-0.1
21 WPHLNSRRA

3.58

-3.34

0.24
22 FPHLRSIRA

4.2

-3.96

0.24
23 FRHLSSRRA

3.64

-3.33

0.31
24 FPHISSIRA

3.88

-3.54

0.34
25 FRHISSRRA

3.81

-3.21

0.6
26 WPHLRSIRA

3.96

-3.24

0.72
27 FPHLSSIRA

3.96

-3.23

0.73
28 WPHISSIRA

3.73

-2.92

0.81
29 WRHLSSRRA

3.71

-2.19

1.52
30 WPHLSSIRA

3.82

-2.03

1.79

 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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