Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_2SRC-20.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 3.830 ΔGbinding -1.292
TOTAL
 2.538
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.119
Van der Waals -4.462 Backbone clash 0.094
Electrostatics 0.395 Helix dipole 0.000
Solvation Polar 3.783 Water bridges -0.000
Solvation Hyd -7.110 Disulfide 0.000
VdW clashes 2.137 Electrost. Kon 0.551
Entropy sc 0.580 Part.cov.bonds 0.000
Entropy mc

3.989

 ΔGstability

89.034
       

Predicted ligand sequences for model [BBC1_2SRC-20.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_2SRC-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPFFYGKIY 0.0
2 WPYFYGKIY 0.01
3 WPWFYGKIY 0.05
4 WPFFYGKIK 0.1
5 WPYFYGKIK 0.11
6 WPWFYGKIK 0.15
7 WPFFYGKIM 0.2
8 WPYFYGKIM 0.21
9 KPFFYGKIY 0.23
10 WPFFFGKIY 0.24
11 KPYFYGKIY 0.24
12 WPWFYGKIM 0.25
13 WPYFFGKIY 0.25
14 WPFFYGHIY 0.25
15 WPYFYGHIY 0.26
16 KPWFYGKIY 0.28
17 WPWFFGKIY 0.29
18 WPWFYGHIY 0.3
19 LPFFYGKIY 0.31
20 LPYFYGKIY 0.32
21 KPFFYGKIK 0.33
22 WPFFYGKWY 0.33
23 WPFFFGKIK 0.34
24 WPYFYGKWY 0.34
25 KPYFYGKIK 0.34
26 WPFFYGHIK 0.34
27 WPYFYGHIK 0.35
28 WPYFFGKIK 0.35
29 LPWFYGKIY 0.36
30 KPWFYGKIK 0.38
31 WPWFYGKWY 0.38
32 WPWFYGHIK 0.39
33 WPWFFGKIK 0.39
34 LPFFYGKIK 0.41
35 LPYFYGKIK 0.42
36 KPFFYGKIM 0.43
37 WPFFYGKWK 0.43
38 WPFFFGKIM 0.44
39 WPYFYGKWK 0.44
40 KPYFYGKIM 0.44
41 WPFFYGHIM 0.44
42 WPYFYGHIM 0.45
43 WPYFFGKIM 0.45
44 WPFRYGKIY 0.45
45 LPWFYGKIK 0.46
46 WPYRYGKIY 0.46
47 KPFFFGKIY 0.47
48 WPFFYGRIY 0.48
49 KPWFYGKIM 0.48
50 KPFFYGHIY 0.48
51 KPYFFGKIY 0.48
52 WPWFYGKWK 0.48
53 WPWFYGHIM 0.49
54 WPFFFGHIY 0.49
55 WPWFFGKIM 0.49
56 KPYFYGHIY 0.49
57 WPYFYGRIY 0.49
58 WPYFFGHIY 0.5
59 WPWRYGKIY 0.5
60 LPFFYGKIM 0.51
61 LPYFYGKIM 0.52
62 KPWFFGKIY 0.53
63 WPFFYGKWM 0.53
64 KPWFYGHIY 0.53
65 WPWFYGRIY 0.53
66 WPYFYGKWM 0.54
67 WPWFFGHIY 0.54
68 WPFRYGKIK 0.55
69 LPWFYGKIM 0.56
70 WPYRYGKIK 0.56
71 LPFFFGKIY 0.56
72 LPFFYGHIY 0.56
73 KPFFYGHIK 0.57
74 KPFFFGKIK 0.57
75 LPYFFGKIY 0.57
76 KPFFYGKWY 0.57
77 LPYFYGHIY 0.57
78 WPFFYGRIK 0.58
79 WPFFYGHWY 0.58
80 KPYFYGKWY 0.58
81 KPYFYGHIK 0.58
82 KPYFFGKIK 0.58
83 WPWFYGKWM 0.58
84 WPFFFGKWY 0.58
85 WPYFYGHWY 0.59
86 WPFFFGHIK 0.59
87 WPYFFGKWY 0.59
88 WPYFYGRIK 0.59
89 WPYFFGHIK 0.6
90 WPWRYGKIK 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WPFFYGKWY

3.69

-11.77

-8.08
2 WPFFYGKIY

5.37

-11.52

-6.15
3 WPFFYGKIM

5.47

-11.53

-6.06
4 WPFFYGHIK

5.37

-11.2

-5.83
5 WPFFFGKIK

5.47

-11.27

-5.8
6 WPWFYGKIY

5.79

-11.55

-5.76
7 WPYFYGKIY

5.68

-11.32

-5.64
8 WPFFFGKIY

5.14

-10.18

-5.04
9 WPWFYGKIM

5.72

-10.73

-5.01
10 KPWFYGKIY

5.27

-10.12

-4.85
11 WPYFFGKIY

5.21

-10.01

-4.8
12 KPYFYGKIY

5.76

-10.53

-4.77
13 WPFFYGHIY

5.45

-10.15

-4.7
14 WPWFFGKIY

5.29

-9.95

-4.66
15 KPWFYGKIK

5.23

-9.8

-4.57
16 WPYFYGKIK

5.75

-10.29

-4.54
17 LPFFYGKIY

6.27

-10.79

-4.52
18 WPYFYGKWY

5.56

-9.84

-4.28
19 LPYFYGKIY

6.43

-10.61

-4.18
20 KPFFYGKIY

5.76

-9.93

-4.17
21 KPFFYGKIK

6.09

-10.21

-4.12
22 WPYFYGKIM

5.47

-9.36

-3.89
23 WPYFFGKIK

5.95

-9.76

-3.81
24 WPYFYGHIY

5.5

-9.21

-3.71
25 WPWFYGHIY

6.46

-10.08

-3.62
26 WPFFYGKIK

5.54

-9.14

-3.6
27 WPYFYGHIK

5.72

-9.26

-3.54
28 WPWFYGKIK

7.16

-9.97

-2.81
29 KPYFYGKIK

5.41

-8.0

-2.59
30 LPWFYGKIY

7.53

-9.5

-1.97

 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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