Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-9.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 1.117 ΔGbinding -2.678
TOTAL
 -1.561
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.657
Van der Waals -2.901 Backbone clash 0.066
Electrostatics 0.078 Helix dipole 0.002
Solvation Polar 2.797 Water bridges -0.000
Solvation Hyd -4.437 Disulfide 0.000
VdW clashes 0.015 Electrost. Kon 0.102
Entropy sc 0.363 Part.cov.bonds 0.000
Entropy mc

1.921

 ΔGstability

92.594
       

Predicted ligand sequences for model [CDC25_KJW-FYN-9.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-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRFIPPLW 0.0
2 FRPIPPLW 0.06
3 FRFIPELW 0.07
4 FRYIPPLW 0.1
5 FRFIPPNW 0.1
6 FRFIPPDW 0.12
7 FRFIPDLW 0.12
8 FRPIPELW 0.13
9 FRFIPPLM 0.14
10 FRFIPENW 0.16
11 FRPIPPNW 0.16
12 FRYIPELW 0.16
13 FRFIPPLP 0.17
14 FRPIPPDW 0.18
15 FRFIPEDW 0.18
16 FRPIPDLW 0.19
17 FRYIPPNW 0.19
18 FRYIPPDW 0.21
19 FRFIPELM 0.21
20 FRPIPPLM 0.21
21 FRFIPDNW 0.22
22 FRYIPDLW 0.22
23 FRPIPPLP 0.23
24 FRPIPENW 0.23
25 FRYIPPLM 0.24
26 FRFIPELP 0.24
27 FRFIPPNM 0.24
28 FRFIPDDW 0.24
29 FRPIPEDW 0.25
30 FRFIPPDM 0.26
31 FRYIPENW 0.26
32 FRYIPPLP 0.27
33 FRFIPPNP 0.27
34 FRPIPELM 0.27
35 FRFIPDLM 0.27
36 FRYIPEDW 0.28
37 FRFIPPDP 0.29
38 FRPIPDNW 0.29
39 FRFIPDLP 0.29
40 FRPIPPNM 0.3
41 FRYIPELM 0.3
42 FRPIPELP 0.3
43 FRPIPDDW 0.3
44 FRFIPENM 0.31
45 FRPIPPDM 0.32
46 FRYIPDNW 0.32
47 FRFIPENP 0.33
48 FRPIPPNP 0.33
49 FRFIPEDM 0.33
50 FRYIPELP 0.33
51 FRPIPDLM 0.33
52 FRFIIPLW 0.34
53 FRYIPDDW 0.34
54 FRYIPPNM 0.34
55 FRPIPPDP 0.35
56 FRYIPPDM 0.35
57 FRFIPEDP 0.35
58 FRFIPDNM 0.36
59 FRPIPDLP 0.36
60 FRYIPDLM 0.36
61 FRYIPPNP 0.36
62 FRPIPENM 0.37
63 FRYIPPDP 0.38
64 FRFIPDDM 0.38
65 FRFIPDNP 0.39
66 FRYIPDLP 0.39
67 FRPIPEDM 0.39
68 FRPIIPLW 0.4
69 FRYIPENM 0.4
70 FRFIIELW 0.4
71 FRPIPENP 0.4
72 FRFIPDDP 0.41
73 FRYIPEDM 0.42
74 FRPIPEDP 0.42
75 FRPIPDNM 0.43
76 FRYIPENP 0.43
77 FRYIIPLW 0.43
78 FRFIIPNW 0.44
79 FRYIPEDP 0.45
80 FRFIIPDW 0.45
81 FRPIPDDM 0.45
82 FRPIPDNP 0.46
83 FRYIPDNM 0.46
84 FRFIIDLW 0.46
85 FRPIIELW 0.47
86 FRPIPDDP 0.47
87 FRYIPDDM 0.48
88 FRFIIPLM 0.48
89 FPFIPPLW 0.48
90 FRYIPDNP 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRPIPELW

1.46

-8.16

-6.7
2 FRFIPDLW

3.01

-9.49

-6.48
3 FRFIPPLW

2.22

-8.28

-6.06
4 FRFIPELP

3.14

-9.18

-6.04
5 FRFIPPDM

1.53

-7.4

-5.87
6 FRYIPDLW

2.9

-8.72

-5.82
7 FRFIPDDW

2.21

-7.82

-5.61
8 FRFIPEDW

1.6

-7.2

-5.6
9 FRPIPPLP

3.11

-8.52

-5.41
10 FRFIPPLM

2.84

-8.14

-5.3
11 FRPIPPLM

3.01

-8.31

-5.3
12 FRYIPPLM

3.09

-8.39

-5.3
13 FRYIPPLW

2.73

-7.99

-5.26
14 FRFIPPDW

2.06

-7.24

-5.18
15 FRYIPELW

2.86

-7.98

-5.12
16 FRPIPPDW

2.13

-7.21

-5.08
17 FRYIPPNW

2.83

-7.77

-4.94
18 FRYIPPDW

2.01

-6.87

-4.86
19 FRFIPPLP

2.88

-7.7

-4.82
20 FRPIPPLW

3.44

-8.19

-4.75
21 FRFIPELM

3.03

-7.78

-4.75
22 FRFIPENW

2.22

-6.86

-4.64
23 FRPIPEDW

2.42

-7.05

-4.63
24 FRPIPDLW

3.48

-8.11

-4.63
25 FRPIPENW

2.57

-7.12

-4.55
26 FRFIPELW

3.02

-7.37

-4.35
27 FRFIPPNW

2.73

-7.08

-4.35
28 FRPIPPNW

2.84

-7.12

-4.28
29 FRFIPDNW

2.14

-6.31

-4.17
30 FRFIPPNM

2.77

-6.52

-3.75

 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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