Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK3-16.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 5.074 ΔGbinding 1.211
TOTAL
 6.285
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.904
Van der Waals -3.884 Backbone clash 0.202
Electrostatics 0.656 Helix dipole 0.000
Solvation Polar 3.622 Water bridges -0.058
Solvation Hyd -6.097 Disulfide 0.000
VdW clashes 1.311 Electrost. Kon 0.854
Entropy sc 0.455 Part.cov.bonds 0.000
Entropy mc

3.446

 ΔGstability

15.645
       

Predicted ligand sequences for model [BBC1_1ZUK3-16.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_1ZUK3-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPRTSWRF 0.0
2 FPPRTSWKF 0.03
3 FPKRTSWRF 0.04
4 FPKRTSWKF 0.06
5 FPYRTSWRF 0.09
6 WPPRTSWRF 0.11
7 FPYRTSWKF 0.12
8 WPPRTSWKF 0.14
9 WPKRTSWRF 0.15
10 FPPRTSWFF 0.15
11 WPKRTSWKF 0.18
12 FPKRTSWFF 0.19
13 WPYRTSWRF 0.2
14 FPPLTSWRF 0.2
15 FPPRTSHRF 0.2
16 FPPLTSWKF 0.23
17 FPKRTSHRF 0.23
18 FPPRTSHKF 0.23
19 WPYRTSWKF 0.23
20 FPYRTSWFF 0.24
21 FPKLTSWRF 0.24
22 FPKRTSHKF 0.26
23 WPPRTSWFF 0.27
24 FPKLTSWKF 0.27
25 FPPITSWRF 0.28
26 FPYRTSHRF 0.28
27 FPYLTSWRF 0.29
28 WPKRTSWFF 0.3
29 FPPRTSWRR 0.3
30 FPPRTGWRF 0.31
31 FPPITSWKF 0.31
32 FPYRTSHKF 0.31
33 WPPRTSHRF 0.31
34 FPKITSWRF 0.32
35 WPPLTSWRF 0.32
36 FPYLTSWKF 0.32
37 FPPRTSWKR 0.33
38 FPKRTSWRR 0.34
39 FPPRTGWKF 0.34
40 FPKITSWKF 0.34
41 WPKRTSHRF 0.34
42 FPKRTGWRF 0.34
43 WPPRTSHKF 0.34
44 WPKLTSWRF 0.35
45 WPYRTSWFF 0.35
46 WPPLTSWKF 0.35
47 FPPRTSHFF 0.35
48 FPPLTSWFF 0.36
49 FPYITSWRF 0.37
50 FPKRTSWKR 0.37
51 FPKRTGWKF 0.37
52 WPKRTSHKF 0.37
53 WPKLTSWKF 0.38
54 FPYRTSWRR 0.39
55 FPKLTSWFF 0.39
56 WPPITSWRF 0.39
57 FPKRTSHFF 0.39
58 FPPLTSHRF 0.4
59 FPYRTGWRF 0.4
60 FPYITSWKF 0.4
61 WPYRTSHRF 0.4
62 WPYLTSWRF 0.4
63 FRPRTSWRF 0.41
64 WPPRTSWRR 0.41
65 FPYRTSWKR 0.42
66 FPYRTGWKF 0.42
67 WPPITSWKF 0.42
68 WPPRTGWRF 0.42
69 WPYRTSHKF 0.42
70 WPYLTSWKF 0.43
71 FRPRTSWKF 0.43
72 FPPITSWFF 0.43
73 WPKITSWRF 0.43
74 FPPLTSHKF 0.43
75 FRKRTSWRF 0.44
76 WPPRTSWKR 0.44
77 FPYRTSHFF 0.44
78 FPKLTSHRF 0.44
79 FPYLTSWFF 0.45
80 WPPRTGWKF 0.45
81 WPKRTSWRR 0.45
82 WPKRTGWRF 0.45
83 FPPRTGWFF 0.46
84 FPPRTSWFR 0.46
85 WPPRTSHFF 0.46
86 WPKITSWKF 0.46
87 FRKRTSWKF 0.47
88 FPKITSWFF 0.47
89 WPPLTSWFF 0.47
90 FPKLTSHKF 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPLTSWRF

4.76

-5.52

-0.76
2 FPPRTSHKF

5.25

-5.73

-0.48
3 FPPRTGWRF

5.03

-5.39

-0.36
4 FPYLTSWRF

5.59

-5.59

0.0
5 FPYRTSHRF

4.75

-4.66

0.09
6 FPKLTSWRF

5.33

-5.12

0.21
7 FPPLTSWKF

6.23

-5.96

0.27
8 FPPRTSWKF

5.81

-5.45

0.36
9 FPPRTSWRR

4.63

-3.98

0.65
10 FPKRTSHKF

5.98

-5.3

0.68
11 FPKRTSWKF

5.68

-4.94

0.74
12 FPYRTSWRF

5.23

-4.46

0.77
13 FPKLTSWKF

6.25

-5.47

0.78
14 FPPRTSHRF

6.21

-5.42

0.79
15 WPYRTSWRF

5.17

-4.2

0.97
16 FPPITSWRF

6.3

-5.25

1.05
17 FPKRTSHRF

6.12

-4.84

1.28
18 WPPRTSWRF

5.43

-4.1

1.33
19 WPPRTSWKF

5.57

-4.07

1.5
20 FPKRTSWRF

5.44

-3.93

1.51
21 FPPRTSWFF

5.53

-3.87

1.66
22 FPYRTSWKF

5.29

-3.57

1.72
23 FPKRTSWFF

5.57

-3.2

2.37
24 FPYRTSWFF

5.67

-3.29

2.38
25 FPPRTSWRF

7.13

-4.7

2.43
26 WPPRTSWFF

6.12

-3.69

2.43
27 WPYRTSWKF

6.51

-3.88

2.63
28 WPKRTSWFF

5.89

-3.1

2.79
29 WPKRTSWRF

6.3

-3.45

2.85
30 WPKRTSWKF

6.33

-3.32

3.01

 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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