Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-13.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 3.923 ΔGbinding -1.313
TOTAL
 2.610
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.721
Van der Waals -2.802 Backbone clash 0.076
Electrostatics 0.065 Helix dipole 0.002
Solvation Polar 2.287 Water bridges -0.009
Solvation Hyd -4.369 Disulfide 0.000
VdW clashes 0.341 Electrost. Kon 0.082
Entropy sc 0.113 Part.cov.bonds 0.000
Entropy mc

2.254

 ΔGstability

92.885
       

Predicted ligand sequences for model [CDC25_KJW-FYN-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRELIPFR 0.0
2 MRELYPFR 0.07
3 MRPLIPFR 0.09
4 MRPLYPFR 0.16
5 MRELRPFR 0.18
6 MIELIPFR 0.2
7 MRRLIPFR 0.21
8 MRELIFFR 0.23
9 MIELYPFR 0.26
10 MRPLRPFR 0.27
11 MRRLYPFR 0.28
12 MRELIWFR 0.28
13 MIPLIPFR 0.29
14 MRELYFFR 0.3
15 MRPLIFFR 0.33
16 MFELIPFR 0.33
17 MRELYWFR 0.34
18 MIPLYPFR 0.36
19 MRPLIWFR 0.37
20 MIELRPFR 0.37
21 MRPLYFFR 0.39
22 MRRLRPFR 0.39
23 MFELYPFR 0.4
24 MRELRFFR 0.41
25 MIRLIPFR 0.41
26 MFPLIPFR 0.42
27 MIELIFFR 0.43
28 MRRLIFFR 0.44
29 MRPLYWFR 0.44
30 MREIIPFR 0.45
31 MRELRWFR 0.46
32 MIPLRPFR 0.47
33 MIELIWFR 0.47
34 MIRLYPFR 0.47
35 MRRLIWFR 0.49
36 MFPLYPFR 0.49
37 MIELYFFR 0.49
38 MRPLRFFR 0.5
39 MREIYPFR 0.51
40 MRRLYFFR 0.51
41 MFELRPFR 0.51
42 MIPLIFFR 0.52
43 MFRLIPFR 0.54
44 MIELYWFR 0.54
45 MRPIIPFR 0.54
46 MRPLRWFR 0.55
47 MFELIFFR 0.56
48 MRRLYWFR 0.56
49 MIPLIWFR 0.57
50 MIRLRPFR 0.58
51 MIPLYFFR 0.59
52 MIELRFFR 0.6
53 MFPLRPFR 0.6
54 MRPIYPFR 0.61
55 MFELIWFR 0.61
56 MFRLYPFR 0.61
57 MREIRPFR 0.62
58 MRRLRFFR 0.62
59 MFELYFFR 0.63
60 MIPLYWFR 0.63
61 MIRLIFFR 0.64
62 MIEIIPFR 0.64
63 MIELRWFR 0.65
64 MFPLIFFR 0.66
65 MRRIIPFR 0.66
66 MFELYWFR 0.67
67 MRRLRWFR 0.67
68 MREIIFFR 0.68
69 MIRLIWFR 0.69
70 MFPLIWFR 0.7
71 MIPLRFFR 0.7
72 MIRLYFFR 0.71
73 MIEIYPFR 0.71
74 MRRIYPFR 0.72
75 MREIIWFR 0.72
76 MFRLRPFR 0.72
77 MFPLYFFR 0.72
78 MRPIRPFR 0.72
79 MIPLRWFR 0.74
80 MIPIIPFR 0.74
81 MREIYFFR 0.74
82 MFELRFFR 0.74
83 MIRLYWFR 0.75
84 MFPLYWFR 0.77
85 MRPIIFFR 0.77
86 MFRLIFFR 0.77
87 MFEIIPFR 0.78
88 MFELRWFR 0.78
89 MREIYWFR 0.79
90 MIPIYPFR 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MIELIPFR

2.66

-11.87

-9.21
2 MIPLIPFR

2.64

-11.83

-9.19
3 MIRLIPFR

2.99

-11.65

-8.66
4 MIELIFFR

3.22

-11.85

-8.63
5 MFELYPFR

2.59

-10.96

-8.37
6 MFPLIPFR

2.94

-11.16

-8.22
7 MIELRPFR

3.14

-11.34

-8.2
8 MIPLYPFR

3.13

-11.32

-8.19
9 MIELYPFR

3.01

-11.19

-8.18
10 MFELIPFR

2.81

-10.97

-8.16
11 MRPLIFFR

2.67

-10.67

-8.0
12 MRELIFFR

2.58

-10.54

-7.96
13 MREIIPFR

2.68

-10.39

-7.71
14 MRRLIPFR

3.31

-10.71

-7.4
15 MRPLIWFR

2.73

-10.03

-7.3
16 MRPLIPFR

2.75

-10.04

-7.29
17 MRRLYPFR

2.63

-9.84

-7.21
18 MRELIPFR

2.61

-9.79

-7.18
19 MRELYFFR

2.83

-10.0

-7.17
20 MRELRPFR

2.82

-9.92

-7.1
21 MRELYPFR

3.06

-10.15

-7.09
22 MRPLYPFR

2.85

-9.87

-7.02
23 MRELRFFR

2.96

-9.84

-6.88
24 MRPLRPFR

3.27

-10.12

-6.85
25 MRRLRPFR

3.32

-9.89

-6.57
26 MRPLYFFR

2.86

-9.42

-6.56
27 MRRLIFFR

2.97

-9.46

-6.49
28 MRELYWFR

3.64

-9.7

-6.06
29 MRELIWFR

3.39

-9.41

-6.02
30 MRPLYWFR

3.94

-9.76

-5.82

 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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