Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1CSK-18.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 10
poly-Ala
A
 A
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 6.035 ΔGbinding 0.805
TOTAL
 6.840
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.453
Van der Waals -5.699 Backbone clash 1.760
Electrostatics 0.181 Helix dipole 0.000
Solvation Polar 6.282 Water bridges -0.044
Solvation Hyd -7.743 Disulfide 0.000
VdW clashes 1.607 Electrost. Kon 0.178
Entropy sc 1.092 Part.cov.bonds 0.000
Entropy mc

6.274

 ΔGstability

34.273
       

Predicted ligand sequences for model [YSC84_1CSK-18.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_1CSK-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPIKSIYMW 0.0
2 FPHIKSIYMW 0.03
3 FPPIKSIHMW 0.1
4 FPPIKSIMMW 0.1
5 FPPLKSIYMW 0.11
6 FPPIKSRYMW 0.11
7 FPKIKSIYMW 0.12
8 FRPIKSIYMW 0.13
9 FPHIKSIHMW 0.13
10 FPHIKSIMMW 0.13
11 FPHIKSRYMW 0.14
12 FPHLKSIYMW 0.14
13 FRHIKSIYMW 0.16
14 FPPIKSIYYW 0.2
15 FPPIKSRHMW 0.21
16 FFPIKSIYMW 0.21
17 FPPLKSIHMW 0.21
18 FPKIKSIHMW 0.22
19 FPKIKSIMMW 0.22
20 FPPIKSRMMW 0.22
21 FPPLKSIMMW 0.22
22 FRPIKSIHMW 0.23
23 FRPIKSIMMW 0.23
24 FPHIKSIYYW 0.23
25 FPKLKSIYMW 0.23
26 FPPLKSRYMW 0.23
27 FPKIKSRYMW 0.23
28 FFHIKSIYMW 0.24
29 FRPIKSRYMW 0.24
30 FPHIKSRHMW 0.24
31 FRPLKSIYMW 0.24
32 FPHLKSIHMW 0.24
33 FPHLKSRYMW 0.25
34 FRKIKSIYMW 0.25
35 FPHIKSRMMW 0.25
36 FPHLKSIMMW 0.25
37 FRHIKSIMMW 0.26
38 FRHIKSIHMW 0.26
39 FRHIKSRYMW 0.27
40 FPPIKSLYMW 0.27
41 FPPIRSIYMW 0.27
42 FRHLKSIYMW 0.27
43 FPPIKGIYMW 0.28
44 FPPIKSIMYW 0.3
45 FPHIRSIYMW 0.3
46 FPHIKSLYMW 0.3
47 FPPIKSIHYW 0.3
48 FPPLKSIYYW 0.31
49 FFPIKSIMMW 0.31
50 FPPIKSRYYW 0.31
51 FFPIKSIHMW 0.31
52 FPHIKGIYMW 0.31
53 FFPIKSRYMW 0.32
54 FFPLKSIYMW 0.32
55 FPPIKSIYME 0.32
56 FFKIKSIYMW 0.32
57 FPKIKSIYYW 0.32
58 FPKIKSRMMW 0.33
59 FPKLKSIHMW 0.33
60 FPHIKSIMYW 0.33
61 FPPLKSRHMW 0.33
62 FPHIKSIHYW 0.33
63 FPPLKSRMMW 0.33
64 FRPIKSIYYW 0.33
65 FPKIKSRHMW 0.33
66 FFHIKSIMMW 0.34
67 FPHLKSIYYW 0.34
68 FRPIKSRMMW 0.34
69 FPKLKSIMMW 0.34
70 FPHIKSRYYW 0.34
71 FPKLKSRYMW 0.34
72 FRPIKSRHMW 0.34
73 FRPLKSIHMW 0.34
74 FFHIKSIHMW 0.34
75 FRPLKSRYMW 0.35
76 FPHLKSRHMW 0.35
77 FRKIKSIMMW 0.35
78 FRPLKSIMMW 0.35
79 FRKIKSIHMW 0.35
80 FPHIKSIYME 0.35
81 FFHIKSRYMW 0.35
82 FFHLKSIYMW 0.35
83 FPHLKSRMMW 0.36
84 FRHIKSIYYW 0.36
85 FRKLKSIYMW 0.36
86 FRKIKSRYMW 0.36
87 FPPIKSLHMW 0.37
88 FRHIKSRHMW 0.37
89 FPPIKSLMMW 0.37
90 FRHIKSRMMW 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPLKSIMMW

4.22

-10.46

-6.24
2 FPPLKSIHMW

4.23

-9.93

-5.7
3 FPKIKSIMMW

4.0

-9.48

-5.48
4 FPPLKSIYMW

4.63

-10.07

-5.44
5 FPHIKSIMMW

4.38

-9.68

-5.3
6 FPPIKSRHMW

4.56

-9.52

-4.96
7 FPHIKSIHMW

4.07

-8.99

-4.92
8 FPPIKSRYMW

4.31

-9.2

-4.89
9 FPPIKSIHMW

4.4

-9.12

-4.72
10 FPHLKSIYMW

4.05

-8.27

-4.22
11 FFPIKSIYMW

3.64

-7.64

-4.0
12 FPHIKSRYMW

4.72

-8.64

-3.92
13 FPPIKSIYMW

4.5

-8.25

-3.75
14 FPHIKSIYMW

4.6

-8.1

-3.5
15 FPPIKSRMMW

4.4

-7.71

-3.31
16 FPKIKSIYMW

4.59

-7.82

-3.23
17 FPKIKSIHMW

3.64

-6.82

-3.18
18 FRPIKSIMMW

5.0

-8.18

-3.18
19 FRPIKSIHMW

4.55

-7.71

-3.16
20 FFHIKSIYMW

4.05

-7.08

-3.03
21 FPKIKSRYMW

5.0

-7.98

-2.98
22 FRPIKSIYMW

5.14

-8.06

-2.92
23 FPPIKSIMMW

5.32

-8.07

-2.75
24 FRHIKSIYMW

4.91

-7.54

-2.63
25 FPKLKSIYMW

5.33

-7.84

-2.51
26 FPPIKSIYYW

5.47

-7.49

-2.02
27 FPPLKSRYMW

6.11

-8.05

-1.94
28 FPHIKSIYYW

5.35

-7.23

-1.88
29 FRPIKSRYMW

5.55

-7.26

-1.71
30 FPHIKSRHMW

5.44

-6.74

-1.3

 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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