Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-29.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9 10
poly-Ala A
A
 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 3.515 ΔGbinding -3.332
TOTAL
 0.183
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.555
Van der Waals -3.558 Backbone clash -0.000
Electrostatics 0.003 Helix dipole 0.000
Solvation Polar 2.901 Water bridges 0.000
Solvation Hyd -5.428 Disulfide 0.000
VdW clashes 0.238 Electrost. Kon -0.003
Entropy sc 0.143 Part.cov.bonds 0.000
Entropy mc

1.818

 ΔGstability

91.259
       

Predicted ligand sequences for model [CDC25_KJW-FYN-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DMPEIMERMH 0.0
2 DMQEIMERMH 0.0
3 DMPPIMERMH 0.05
4 DMPEIMERMR 0.05
5 DMQEIMERMR 0.05
6 DMQPIMERMH 0.05
7 DMPPIMERMR 0.1
8 DMPEIMPRMH 0.1
9 DMQEIMPRMH 0.1
10 EMQEIMERMH 0.11
11 EMPEIMERMH 0.11
12 DMQPIMERMR 0.11
13 DMPMIMERMH 0.12
14 DMQMIMERMH 0.13
15 DMQPIMPRMH 0.15
16 DMPPIMPRMH 0.15
17 DMPEIMPRMR 0.15
18 DMQEIMPRMR 0.15
19 EMPEIMERMR 0.16
20 EMPPIMERMH 0.16
21 EMQEIMERMR 0.16
22 EMQPIMERMH 0.16
23 DMPMIMERMR 0.17
24 DMQMIMERMR 0.18
25 DMQEIMKRMH 0.2
26 DMQPIMPRMR 0.2
27 DMPEIMKRMH 0.2
28 DMPPIMPRMR 0.2
29 EMQEIMPRMH 0.21
30 EMPEIMPRMH 0.21
31 EMPPIMERMR 0.21
32 EMQPIMERMR 0.21
33 DMPEIMERMK 0.22
34 DMPMIMPRMH 0.22
35 EMPMIMERMH 0.23
36 DMQMIMPRMH 0.23
37 DMQEIMERMK 0.23
38 EMQMIMERMH 0.23
39 DMQPIMKRMH 0.25
40 DMPPIMKRMH 0.25
41 DMPEIMKRMR 0.25
42 EMPEIMPRMR 0.26
43 EMQEIMPRMR 0.26
44 DMQEIMKRMR 0.26
45 EMQPIMPRMH 0.26
46 EMPPIMPRMH 0.26
47 DMPPIMERMK 0.27
48 DMPMIMPRMR 0.27
49 EMPMIMERMR 0.28
50 DMQPIMERMK 0.28
51 DMQMIMPRMR 0.28
52 EMQMIMERMR 0.28
53 DMPEIMEFMH 0.3
54 DMQPIMKRMR 0.3
55 DMPPIMKRMR 0.3
56 DMQEIMEFMH 0.3
57 EMQPIMPRMR 0.31
58 EMQEIMKRMH 0.31
59 EMPEIMKRMH 0.31
60 EMPPIMPRMR 0.31
61 DMPEIMPRMK 0.32
62 DMPMIMKRMH 0.32
63 EMQMIMPRMH 0.33
64 EMPEIMERMK 0.33
65 DMQMIMKRMH 0.33
66 EMPMIMPRMH 0.33
67 DMQEIMPRMK 0.33
68 DMYEIMERMH 0.34
69 EMQEIMERMK 0.34
70 DMPPIMEFMH 0.35
71 DMQPIMEFMH 0.35
72 DMPMIMERMK 0.35
73 DMQEIMEFMR 0.35
74 DMQMIMERMK 0.35
75 DMPEIMEFMR 0.35
76 EMQPIMKRMH 0.36
77 EMPPIMKRMH 0.36
78 EMQEIMKRMR 0.36
79 EMPEIMKRMR 0.36
80 DMPPIMPRMK 0.37
81 DMPMIMKRMR 0.37
82 EMQMIMPRMR 0.38
83 DMQMIMKRMR 0.38
84 DMQPIMPRMK 0.38
85 EMPMIMPRMR 0.38
86 EMPPIMERMK 0.38
87 DMYEIMERMR 0.39
88 DMYPIMERMH 0.39
89 EMQPIMERMK 0.39
90 DMPPIMEFMR 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DMPEIMERMH

2.73

-15.85

-13.12
2 DMPEIMPRMH

2.36

-14.93

-12.57
3 EMPEIMPRMH

2.54

-14.84

-12.3
4 DMPPIMERMR

3.07

-14.79

-11.72
5 DMPPIMPRMR

2.87

-14.51

-11.64
6 DMPEIMERMR

3.41

-15.04

-11.63
7 DMPPIMPRMH

3.47

-14.77

-11.3
8 DMPEIMKRMH

3.64

-14.2

-10.56
9 DMQEIMPRMR

2.79

-13.15

-10.36
10 EMPEIMERMH

3.3

-13.54

-10.24
11 EMQEIMPRMH

2.96

-13.17

-10.21
12 DMPEIMPRMR

3.19

-13.25

-10.06
13 DMQPIMPRMH

2.94

-12.89

-9.95
14 DMPMIMERMH

3.34

-13.28

-9.94
15 EMPEIMERMR

3.3

-13.22

-9.92
16 DMPPIMERMH

3.36

-13.28

-9.92
17 DMQEIMPRMH

2.72

-12.64

-9.92
18 DMQPIMPRMR

3.58

-13.49

-9.91
19 EMQEIMERMH

3.48

-13.2

-9.72
20 DMQMIMERMR

3.51

-12.64

-9.13
21 EMPPIMERMH

3.4

-12.53

-9.13
22 DMPMIMERMR

3.18

-12.29

-9.11
23 DMQEIMERMH

3.94

-12.52

-8.58
24 DMQEIMKRMH

3.6

-11.85

-8.25
25 DMQPIMERMR

3.26

-11.44

-8.18
26 EMQEIMERMR

3.5

-11.6

-8.1
27 DMQPIMERMH

3.04

-11.02

-7.98
28 EMQPIMERMH

3.95

-11.26

-7.31
29 DMQEIMERMR

3.5

-10.02

-6.52
30 DMQMIMERMH

3.94

-10.4

-6.46

 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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