Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-18.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
 G
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 5.612 ΔGbinding 0.740
TOTAL
 6.352
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.648
Van der Waals -4.514 Backbone clash 1.253
Electrostatics 0.079 Helix dipole 0.002
Solvation Polar 4.465 Water bridges -0.090
Solvation Hyd -6.666 Disulfide 0.000
VdW clashes 3.456 Electrost. Kon 0.112
Entropy sc 0.792 Part.cov.bonds 0.000
Entropy mc

3.731

 ΔGstability

95.299
       

Predicted ligand sequences for model [CDC25_KJW-FYN-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFIPSIMAM 0.0
2 FPFIPRIMAM 0.01
3 FPYIPSIMAM 0.04
4 FPYIPRIMAM 0.05
5 FPFIDSIMAM 0.08
6 FPFIDRIMAM 0.09
7 FPWIPSIMAM 0.09
8 FPWIPRIMAM 0.1
9 FPYIDSIMAM 0.13
10 FPYIDRIMAM 0.13
11 FPFIPRIMAL 0.17
12 FPFIPSIMAL 0.17
13 FPWIDSIMAM 0.18
14 FPWIDRIMAM 0.18
15 FPYIPSIMAL 0.21
16 FPYIPRIMAL 0.22
17 FPFIPSDMAM 0.22
18 FPFIPSILAM 0.22
19 FPFIPRILAM 0.23
20 FPFIPRDMAM 0.23
21 FPFIDSIMAL 0.25
22 FPYIPSDMAM 0.26
23 FPYIPSILAM 0.26
24 FPFIDRIMAL 0.26
25 FPWIPSIMAL 0.26
26 FPYIPRILAM 0.27
27 FPYIPRDMAM 0.27
28 FPWIPRIMAL 0.27
29 FPYIDSIMAL 0.29
30 FPFIDSDMAM 0.3
31 FPFIPSIRAM 0.3
32 FPYIDRIMAL 0.3
33 FPFIPRIRAM 0.31
34 FPWIPSDMAM 0.31
35 FPFIDSILAM 0.31
36 FPFIDRILAM 0.31
37 FPFIDRDMAM 0.31
38 FPWIPRDMAM 0.32
39 FPWIPSILAM 0.32
40 FPWIPRILAM 0.32
41 FPYIPSIRAM 0.34
42 FPWIDSIMAL 0.34
43 FPYIDSDMAM 0.34
44 FPFIPGIMAM 0.34
45 FPYIDSILAM 0.35
46 FPYIDRDMAM 0.35
47 FPYIPRIRAM 0.35
48 FPWIDRIMAL 0.35
49 FPFIKSIMAM 0.35
50 FPYIDRILAM 0.36
51 FPFIKRIMAM 0.36
52 FPFIPSIMAF 0.36
53 FPFIPRIMAF 0.37
54 FPYIPGIMAM 0.38
55 FPFIPSDMAL 0.38
56 FPFIDRIRAM 0.39
57 FPWIPSIRAM 0.39
58 FPYIKSIMAM 0.39
59 FPWIDSDMAM 0.39
60 FPFIPSILAL 0.39
61 FPFIDSIRAM 0.39
62 FPFIPRDMAL 0.39
63 FPFIPRILAL 0.4
64 FPWIDSILAM 0.4
65 FPWIPRIRAM 0.4
66 FPYIKRIMAM 0.4
67 FPYIPSIMAF 0.4
68 FPWIDRDMAM 0.4
69 FPYIPRIMAF 0.41
70 FPWIDRILAM 0.41
71 FPYIPSDMAL 0.43
72 FPYIDSIRAM 0.43
73 FPYIPSILAL 0.43
74 FPYIPRDMAL 0.43
75 FPFIDGIMAM 0.43
76 FPYIDRIRAM 0.43
77 FPWIPGIMAM 0.44
78 FPWIKSIMAM 0.44
79 FPYIPRILAL 0.44
80 FPFIPSDLAM 0.44
81 FPFIDSIMAF 0.44
82 FPWIKRIMAM 0.45
83 FPFIDRIMAF 0.45
84 FPWIPSIMAF 0.45
85 FPFIPRDLAM 0.45
86 FPWIPRIMAF 0.46
87 FPFIDSDMAL 0.47
88 FPFIPSIRAL 0.47
89 FFFIPRIMAM 0.47
90 FPFIPRIRAL 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPYIDSIMAL

4.62

-7.0

-2.38
2 FPYIDSIMAM

4.62

-6.84

-2.22
3 FPFIDSIMAM

4.62

-6.72

-2.1
4 FPWIDSIMAM

4.64

-6.65

-2.01
5 FPFIDSIMAL

4.84

-6.7

-1.86
6 FPFIPRIMAM

4.56

-6.15

-1.59
7 FPWIDRIMAM

4.87

-6.45

-1.58
8 FPFIDRIMAM

4.96

-6.41

-1.45
9 FPWIPRIMAM

4.74

-6.11

-1.37
10 FPFIPSIMAL

5.3

-6.65

-1.35
11 FPWIPSIMAM

5.29

-6.58

-1.29
12 FPWIPRIMAL

5.17

-6.46

-1.29
13 FPYIPRIMAM

5.49

-6.77

-1.28
14 FPWIPSIMAL

5.39

-6.6

-1.21
15 FPFIPSIMAM

5.28

-6.47

-1.19
16 FPYIPRIMAL

5.41

-6.44

-1.03
17 FPFIPSILAM

5.38

-6.33

-0.95
18 FPFIPSDMAM

5.71

-6.66

-0.95
19 FPYIPSDMAM

5.42

-6.36

-0.94
20 FPYIDRIMAM

5.89

-6.71

-0.82
21 FPYIPSILAM

5.12

-5.86

-0.74
22 FPFIPRIMAL

5.58

-6.31

-0.73
23 FPYIPRDMAM

5.72

-6.29

-0.57
24 FPFIDSDMAM

5.91

-6.4

-0.49
25 FPFIDRIMAL

5.57

-5.97

-0.4
26 FPFIPRDMAM

6.45

-6.78

-0.33
27 FPFIPRILAM

5.79

-6.07

-0.28
28 FPYIPSIMAL

6.78

-7.04

-0.26
29 FPYIPRILAM

6.66

-5.32

1.34
30 FPYIPSIMAM

7.23

-5.53

1.7

 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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