Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-7.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
G
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 0.212 ΔGbinding -2.931
TOTAL
 -2.719
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.172
Van der Waals -2.548 Backbone clash 0.046
Electrostatics 0.057 Helix dipole 0.002
Solvation Polar 2.391 Water bridges 0.000
Solvation Hyd -3.917 Disulfide 0.000
VdW clashes 0.029 Electrost. Kon 0.065
Entropy sc 0.312 Part.cov.bonds 0.000
Entropy mc

1.780

 ΔGstability

89.688
       

Predicted ligand sequences for model [CDC25_KJW-FYN-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MDDWPPPW 0.0
2 MDDWPPNW 0.03
3 MDDWPPPR 0.06
4 MDWWPPPW 0.07
5 MDDWPPNR 0.09
6 MDDWPPVW 0.09
7 MDDWPEPW 0.1
8 MDWWPPNW 0.11
9 MDWWPPPR 0.13
10 MDDWPENW 0.14
11 MDDWPPVR 0.14
12 MDWWPPVW 0.16
13 MDWWPPNR 0.16
14 MDDWPEPR 0.16
15 MDWWPEPW 0.17
16 MDDWPEVW 0.19
17 MDDWPENR 0.19
18 MDDWPPPK 0.19
19 MDDWNPPW 0.21
20 MDWWPENW 0.21
21 MDDWPPNK 0.22
22 MDWWPPVR 0.22
23 MDWWPEPR 0.23
24 MDDWNPNW 0.24
25 MDDWPEVR 0.25
26 MDDWNPPR 0.26
27 MDWWPEVW 0.26
28 MDWWPPPK 0.26
29 MDWWPENR 0.26
30 MDDWPPVK 0.28
31 MDWWNPPW 0.28
32 MDWWPPNK 0.29
33 MDDWPEPK 0.29
34 MDDWNPVW 0.3
35 MDDWNPNR 0.3
36 MDWWNPNW 0.31
37 MDDWNEPW 0.31
38 MDWWPEVR 0.32
39 MDDWPKPW 0.33
40 MDDWPENK 0.33
41 MDWWNPPR 0.34
42 MDWWPPVK 0.35
43 MDDWNENW 0.35
44 MDDWNPVR 0.35
45 MDWWPEPK 0.36
46 MDWWNPNR 0.37
47 MDDWNEPR 0.37
48 MDWWNPVW 0.37
49 MDDIPPPW 0.37
50 MDDWPKNW 0.37
51 MDWWNEPW 0.38
52 MDDWPEVK 0.38
53 MDDWPKPR 0.39
54 MDDWNEVW 0.4
55 MDDWNPPK 0.4
56 MDDWNENR 0.4
57 MDDIPPNW 0.4
58 MDWWPENK 0.4
59 MDWWPKPW 0.41
60 MDDWPKVW 0.42
61 MDWWNPVR 0.42
62 MDDIPPPR 0.42
63 MDDWPKNR 0.42
64 MDWWNENW 0.42
65 MDDWNPNK 0.43
66 MDWWNEPR 0.44
67 MDWIPPPW 0.44
68 MDWWPKNW 0.44
69 MDWWPEVK 0.45
70 MDDWNEVR 0.46
71 MDWWPKPR 0.46
72 MDDWDPPW 0.46
73 MDDIPPVW 0.46
74 MDDIPPNR 0.46
75 MDDIPEPW 0.47
76 MDWWNEVW 0.47
77 MDWWNENR 0.47
78 MDWWNPPK 0.47
79 MDWIPPNW 0.47
80 MDDWPKVR 0.48
81 MDDWNPVK 0.49
82 MDDFPPPW 0.49
83 MDWWPKVW 0.49
84 MDWWNPNK 0.5
85 MDDWDPNW 0.5
86 MDWIPPPR 0.5
87 MDDWNEPK 0.5
88 MDWWPKNR 0.5
89 MDDIPPVR 0.51
90 MDDIPENW 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MDDWPPPW

3.5

-9.51

-6.01
2 MDDWPPNR

3.32

-9.09

-5.77
3 MDDWPPPK

2.74

-8.01

-5.27
4 MDDWPPVR

3.05

-8.23

-5.18
5 MDDWPPNK

2.53

-7.41

-4.88
6 MDWWPPPK

2.39

-7.03

-4.64
7 MDDWPEPR

2.9

-7.52

-4.62
8 MDDWPPPR

2.61

-7.2

-4.59
9 MDDWPPNW

2.91

-7.48

-4.57
10 MDDWPEVR

3.47

-8.02

-4.55
11 MDWWPPNR

3.12

-7.62

-4.5
12 MDDWPPVW

3.37

-7.76

-4.39
13 MDDWPPVK

3.96

-8.14

-4.18
14 MDDWPEVW

3.7

-7.81

-4.11
15 MDDWPENW

3.12

-7.22

-4.1
16 MDDWNPPR

3.32

-7.38

-4.06
17 MDWWPPVW

4.27

-8.28

-4.01
18 MDWWPENR

3.18

-7.17

-3.99
19 MDWWPPVR

3.3

-7.27

-3.97
20 MDWWPEPW

3.01

-6.85

-3.84
21 MDWWPPPR

3.53

-7.33

-3.8
22 MDDWNPPW

3.04

-6.75

-3.71
23 MDDWPEPW

3.12

-6.57

-3.45
24 MDDWPENR

3.67

-7.11

-3.44
25 MDDWNPNW

3.68

-7.07

-3.39
26 MDWWPPNW

3.24

-6.52

-3.28
27 MDWWPEPR

3.03

-6.29

-3.26
28 MDWWPPPW

4.15

-7.14

-2.99
29 MDWWPENW

3.83

-5.75

-1.92
30 MDWWPEVW

5.87

-7.61

-1.74

 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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