Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala 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 1.072 ΔGbinding -1.964
TOTAL
 -0.892
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.672
Van der Waals -2.983 Backbone clash 0.036
Electrostatics 0.021 Helix dipole 0.003
Solvation Polar 2.438 Water bridges 0.000
Solvation Hyd -4.648 Disulfide 0.000
VdW clashes 0.020 Electrost. Kon 0.025
Entropy sc 0.137 Part.cov.bonds 0.000
Entropy mc

2.352

 ΔGstability

92.450
       

Predicted ligand sequences for model [CDC25_KJW-FYN-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 KKEMPPL 0.0
2 RKEMPPL 0.04
3 KKEMRPL 0.08
4 KKDMPPL 0.09
5 RKEMRPL 0.11
6 RKDMPPL 0.12
7 KKEMPGL 0.14
8 KKEMPSL 0.14
9 KKWMPPL 0.14
10 RKEMPSL 0.17
11 KKDMRPL 0.17
12 RKEMPGL 0.17
13 RKWMPPL 0.17
14 RKDMRPL 0.2
15 NKEMPPL 0.21
16 KKEMRGL 0.22
17 KKWMRPL 0.22
18 KKEMRSL 0.22
19 KKDMPGL 0.23
20 KKDMPSL 0.23
21 RKEMRSL 0.25
22 RKWMRPL 0.25
23 RKEMRGL 0.25
24 RKDMPGL 0.26
25 RKDMPSL 0.26
26 KKWMPGL 0.27
27 KKWMPSL 0.28
28 KKEMIPL 0.28
29 NKEMRPL 0.29
30 KKDMRGL 0.3
31 NKDMPPL 0.3
32 RKWMPGL 0.31
33 KKDMRSL 0.31
34 RKWMPSL 0.31
35 RKEMIPL 0.32
36 RKDMRGL 0.34
37 RKDMRSL 0.34
38 NKEMPGL 0.35
39 NKWMPPL 0.35
40 KKWMRGL 0.35
41 KKWMRSL 0.35
42 NKEMPSL 0.35
43 KKDMIPL 0.37
44 NKDMRPL 0.38
45 RKWMRGL 0.39
46 RKWMRSL 0.39
47 RKDMIPL 0.41
48 NKEMRGL 0.42
49 KKEMISL 0.42
50 KKWMIPL 0.42
51 KKEMIGL 0.42
52 NKWMRPL 0.42
53 NKDMPGL 0.43
54 NKEMRSL 0.43
55 KMEMPPL 0.44
56 NKDMPSL 0.44
57 RKWMIPL 0.46
58 RKEMISL 0.46
59 RKEMIGL 0.46
60 NKWMPSL 0.48
61 NKWMPGL 0.48
62 RMEMPPL 0.48
63 NKEMIPL 0.49
64 NKDMRGL 0.51
65 KKDMISL 0.51
66 KKDMIGL 0.51
67 KMEMRPL 0.52
68 NKDMRSL 0.52
69 KMDMPPL 0.53
70 RKDMIGL 0.55
71 RMEMRPL 0.55
72 RKDMISL 0.55
73 NKWMRSL 0.56
74 KKWMISL 0.56
75 NKWMRGL 0.56
76 RMDMPPL 0.56
77 KKWMIGL 0.56
78 KMWMPPL 0.58
79 KMEMPSL 0.58
80 NKDMIPL 0.58
81 KMEMPGL 0.58
82 RKWMIGL 0.59
83 RKWMISL 0.59
84 RMWMPPL 0.61
85 RMEMPSL 0.61
86 RMEMPGL 0.61
87 KMDMRPL 0.61
88 NKEMIGL 0.63
89 NKWMIPL 0.63
90 NKEMISL 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KKEMPGL

2.71

-7.81

-5.1
2 RKWMPPL

2.54

-7.64

-5.1
3 KKEMPPL

2.75

-7.84

-5.09
4 RKDMPPL

3.09

-8.15

-5.06
5 RKDMPGL

3.16

-8.21

-5.05
6 KKDMPGL

2.94

-7.93

-4.99
7 KKEMPSL

2.53

-7.52

-4.99
8 RKEMPGL

2.74

-7.7

-4.96
9 KKDMPSL

2.75

-7.69

-4.94
10 KKDMPPL

3.05

-7.88

-4.83
11 RKEMPPL

3.21

-7.98

-4.77
12 RKEMPSL

3.01

-7.74

-4.73
13 RKDMPSL

3.19

-7.63

-4.44
14 KKWMPSL

2.97

-7.38

-4.41
15 KKWMPGL

3.02

-7.4

-4.38
16 NKEMPPL

2.9

-7.16

-4.26
17 KKEMIPL

3.44

-7.53

-4.09
18 KKWMPPL

2.92

-6.98

-4.06
19 KKDMRGL

2.83

-6.51

-3.68
20 RKEMRPL

3.41

-6.77

-3.36
21 KKEMRGL

3.41

-6.42

-3.01
22 KKDMRPL

3.2

-6.21

-3.01
23 KKEMRPL

2.94

-5.71

-2.77
24 RKDMRPL

3.51

-6.21

-2.7
25 RKEMRSL

3.93

-6.33

-2.4
26 NKEMRPL

3.31

-5.59

-2.28
27 KKEMRSL

3.32

-5.56

-2.24
28 RKEMRGL

3.79

-5.99

-2.2
29 RKWMRPL

3.93

-5.6

-1.67
30 KKWMRPL

3.56

-5.01

-1.45

 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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