Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-8.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 0.381 ΔGbinding -3.056
TOTAL
 -2.675
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.737
Van der Waals -3.490 Backbone clash 0.087
Electrostatics 0.034 Helix dipole 0.001
Solvation Polar 3.328 Water bridges -0.129
Solvation Hyd -4.935 Disulfide 0.000
VdW clashes 0.125 Electrost. Kon 0.027
Entropy sc 0.094 Part.cov.bonds 0.000
Entropy mc

2.426

 ΔGstability

89.727
       

Predicted ligand sequences for model [CDC25_KJW-FYN-8.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).
 
  CDC25_KJW-FYN-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DIHPIPEP 0.0
2 EIHPIPEP 0.03
3 DIHFIPEP 0.07
4 DMHPIPEP 0.07
5 EMHPIPEP 0.09
6 EIHFIPEP 0.1
7 DIHPIPPP 0.13
8 DMHFIPEP 0.14
9 EIHPIPPP 0.15
10 EMHFIPEP 0.16
11 DMHPIPPP 0.19
12 DIHFIPPP 0.2
13 DIHWIPEP 0.21
14 DIHPIIEP 0.22
15 EMHPIPPP 0.22
16 EIHWIPEP 0.23
17 EIHFIPPP 0.23
18 EIHPIIEP 0.24
19 DNHPIPEP 0.26
20 DMHFIPPP 0.27
21 DIHPFPEP 0.27
22 DMHWIPEP 0.27
23 ENHPIPEP 0.28
24 DMHPIIEP 0.28
25 EMHFIPPP 0.29
26 DIHFIIEP 0.29
27 EIHPFPEP 0.3
28 EMHWIPEP 0.3
29 EMHPIIEP 0.31
30 EIHFIIEP 0.32
31 DIHWIPPP 0.33
32 DNHFIPEP 0.33
33 DMHPFPEP 0.34
34 DIHPIIPP 0.34
35 DIHFFPEP 0.35
36 DIHPLPEP 0.35
37 DIHPIPEA 0.36
38 EMHPFPEP 0.36
39 DMHFIIEP 0.36
40 ENHFIPEP 0.36
41 EIHWIPPP 0.36
42 DIHPIPGP 0.36
43 WIHPIPEP 0.37
44 EIHFFPEP 0.37
45 EIHPIIPP 0.37
46 EMHFIIEP 0.38
47 EIHPLPEP 0.38
48 DNHPIPPP 0.38
49 EIHPIPGP 0.38
50 EIHPIPEA 0.39
51 DMHWIPPP 0.4
52 DIHPFPPP 0.4
53 DMHPIIPP 0.41
54 DMHFFPEP 0.41
55 ENHPIPPP 0.41
56 DIHPIPED 0.42
57 EMHWIPPP 0.42
58 DMHPIPGP 0.42
59 DIHWIIEP 0.42
60 DMHPLPEP 0.42
61 EIHPFPPP 0.42
62 DIHFIIPP 0.42
63 DIHFIPGP 0.43
64 DIHFLPEP 0.43
65 DMHPIPEA 0.43
66 EMHPIIPP 0.43
67 DIHFIPEA 0.44
68 EMHFFPEP 0.44
69 WMHPIPEP 0.44
70 EIHFIIPP 0.44
71 EMHPLPEP 0.44
72 EMHPIPEA 0.45
73 EMHPIPGP 0.45
74 WIHFIPEP 0.45
75 EIHFLPEP 0.45
76 EIHPIPED 0.45
77 DIHPIVEP 0.45
78 EIHWIIEP 0.45
79 DNHFIPPP 0.46
80 EIHFIPEA 0.46
81 DNHWIPEP 0.46
82 EIHFIPGP 0.46
83 DMHPFPPP 0.46
84 DNHPIIEP 0.47
85 DIHFFPPP 0.47
86 EIHPIVEP 0.47
87 ENHFIPPP 0.48
88 DIHPLPPP 0.48
89 DIHWFPEP 0.48
90 DMHFIIPP 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DMHFIPPP

1.65

-8.36

-6.71
2 DMHFIPEP

1.64

-8.31

-6.67
3 EMHPIPPP

1.71

-8.31

-6.6
4 DMHPIPEP

1.95

-8.48

-6.53
5 DMHPIPPP

1.84

-8.31

-6.47
6 EMHFIPPP

1.78

-8.18

-6.4
7 EMHFIPEP

1.74

-7.94

-6.2
8 EMHWIPEP

2.32

-8.45

-6.13
9 EMHPIPEP

1.97

-8.06

-6.09
10 DMHWIPEP

1.91

-7.95

-6.04
11 DIHFIPEP

2.37

-8.21

-5.84
12 EIHPIPPP

2.28

-8.01

-5.73
13 DIHPIPEP

2.33

-7.96

-5.63
14 DIHPIPPP

2.42

-8.04

-5.62
15 EIHFIPPP

2.91

-8.46

-5.55
16 EIHPIPEP

2.47

-7.97

-5.5
17 DIHFIPPP

2.48

-7.96

-5.48
18 DNHPIPEP

2.02

-7.38

-5.36
19 EIHFIPEP

2.39

-7.73

-5.34
20 DIHWIPEP

2.42

-7.71

-5.29
21 EMHPIIEP

1.91

-7.14

-5.23
22 DMHPIIEP

1.74

-6.89

-5.15
23 ENHPIPEP

2.08

-7.13

-5.05
24 DIHPIIEP

2.42

-7.39

-4.97
25 DIHFIIEP

2.35

-7.19

-4.84
26 EIHWIPEP

2.22

-7.01

-4.79
27 EIHFIIEP

2.53

-7.11

-4.58
28 EIHPIIEP

2.56

-6.94

-4.38
29 DIHPFPEP

3.1

-6.42

-3.32
30 EIHPFPEP

2.99

-6.01

-3.02

 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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