Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-12.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.386 ΔGbinding -0.164
TOTAL
 0.222
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.268
Van der Waals -1.741 Backbone clash 0.050
Electrostatics 0.063 Helix dipole 0.000
Solvation Polar 1.973 Water bridges 0.005
Solvation Hyd -2.495 Disulfide 0.000
VdW clashes 1.232 Electrost. Kon 0.041
Entropy sc 0.317 Part.cov.bonds 0.000
Entropy mc

1.449

 ΔGstability

12.560
       

Predicted ligand sequences for model [YSC84_2A08-12.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).
 
  YSC84_2A08-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRFRRRYK 0.0
2 FRFRRRYK 0.01
3 YRFRRRYR 0.06
4 YRFRKRYK 0.07
5 FRFRRRYR 0.08
6 FRFRKRYK 0.09
7 WRFRRRYK 0.1
8 YRRRRRYK 0.1
9 YRFRPRYK 0.11
10 FRFRPRYK 0.12
11 FRRRRRYK 0.12
12 YRFRKRYR 0.14
13 FRFRKRYR 0.15
14 WRFRRRYR 0.17
15 YRFRPRYR 0.17
16 YRRRRRYR 0.17
17 YRFRRRWK 0.17
18 WRFRKRYK 0.18
19 FRRRRRYR 0.18
20 YRRRKRYK 0.18
21 FRFRRRWK 0.19
22 FRRRKRYK 0.19
23 FRFRPRYR 0.19
24 WRRRRRYK 0.21
25 WRFRPRYK 0.21
26 YRRRPRYK 0.22
27 FRRRPRYK 0.23
28 YRRRKRYR 0.24
29 YRFRRRWR 0.24
30 WRFRKRYR 0.24
31 FRFRRRWR 0.25
32 YRFRKRWK 0.25
33 FRFRKRWK 0.26
34 FRRRKRYR 0.26
35 YEFRRRYK 0.26
36 WRRRRRYR 0.27
37 YRRRRRWK 0.28
38 WRFRRRWK 0.28
39 WRRRKRYK 0.28
40 FEFRRRYK 0.28
41 YRFRPRWK 0.28
42 WRFRPRYR 0.28
43 YRRRPRYR 0.28
44 FRRRPRYR 0.29
45 FRRRRRWK 0.29
46 FRFRPRWK 0.3
47 YRFRKRWR 0.31
48 WRRRPRYK 0.32
49 FRFRKRWR 0.33
50 YEFRRRYR 0.33
51 YRRRRRWR 0.34
52 WRFRRRWR 0.34
53 FEFRRRYR 0.34
54 YEFRKRYK 0.34
55 FEFRKRYK 0.35
56 WRRRKRYR 0.35
57 YRFRPRWR 0.35
58 WRFRKRWK 0.35
59 YRRRKRWK 0.35
60 FRFRPRWR 0.36
61 FRRRRRWR 0.36
62 FRRRKRWK 0.37
63 YERRRRYK 0.37
64 WEFRRRYK 0.37
65 WRRRPRYR 0.38
66 FERRRRYK 0.38
67 WRRRRRWK 0.38
68 YEFRPRYK 0.38
69 WRFRPRWK 0.39
70 FEFRPRYK 0.39
71 YRRRPRWK 0.39
72 FRRRPRWK 0.4
73 YEFRKRYR 0.4
74 YKFRRRYK 0.41
75 FEFRKRYR 0.42
76 FKFRRRYK 0.42
77 WRFRKRWR 0.42
78 YRRRKRWR 0.42
79 YRYRRRYK 0.43
80 FRRRKRWR 0.43
81 WEFRRRYR 0.43
82 YERRRRYR 0.43
83 YRFRRRYP 0.44
84 YEFRPRYR 0.44
85 WEFRKRYK 0.44
86 YERRKRYK 0.44
87 YEFRRRWK 0.44
88 FEFRRRWK 0.45
89 WRFRPRWR 0.45
90 FRFRRRYP 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRRRRRYK

1.65

-8.64

-6.99
2 FRRRRRYR

2.28

-8.69

-6.41
3 YRRRPRYK

1.79

-7.96

-6.17
4 FRRRPRYK

1.93

-8.07

-6.14
5 WRFRRRYR

1.84

-7.89

-6.05
6 FRRRRRYK

1.96

-7.97

-6.01
7 FRFRPRYR

2.08

-8.06

-5.98
8 YRFRPRYK

1.82

-7.72

-5.9
9 FRRRKRYK

1.56

-7.34

-5.78
10 YRRRRRYR

1.61

-7.39

-5.78
11 YRRRRRYK

1.62

-7.23

-5.61
12 WRFRKRYK

1.71

-6.96

-5.25
13 WRFRRRYK

1.91

-7.1

-5.19
14 FRFRKRYK

2.16

-7.26

-5.1
15 YRRRKRYR

1.62

-6.54

-4.92
16 WRFRKRYR

2.28

-7.13

-4.85
17 YRFRRRWR

1.82

-6.66

-4.84
18 FRFRRRWK

1.83

-6.29

-4.46
19 YRFRRRWK

1.82

-6.24

-4.42
20 FRFRRRYR

2.11

-6.5

-4.39
21 WRFRPRYK

2.0

-6.34

-4.34
22 YRFRPRYR

2.33

-6.53

-4.2
23 FRFRPRYK

1.8

-5.99

-4.19
24 FRFRRRYK

2.21

-6.29

-4.08
25 YRFRKRYK

1.9

-5.97

-4.07
26 YRFRRRYR

2.52

-6.42

-3.9
27 YRFRRRYK

2.62

-6.52

-3.9
28 YRFRKRYR

1.99

-5.57

-3.58
29 FRFRKRYR

1.89

-5.31

-3.42
30 YRRRKRYK

1.95

-5.32

-3.37

 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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