Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-21.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
 G
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 4.318 ΔGbinding 0.455
TOTAL
 4.773
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.294
Van der Waals -2.153 Backbone clash 0.122
Electrostatics -0.011 Helix dipole 0.003
Solvation Polar 2.342 Water bridges -0.018
Solvation Hyd -2.962 Disulfide 0.000
VdW clashes 1.146 Electrost. Kon -0.011
Entropy sc 0.459 Part.cov.bonds 0.000
Entropy mc

2.641

 ΔGstability

101.801
       

Predicted ligand sequences for model [CDC25_KJW-FYN-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWKMGRPTFT 0.0
2 ERKMGRPTFT 0.16
3 EWKMQRPTFT 0.2
4 EWKMGRPNFT 0.22
5 EWKMGRETFT 0.24
6 EWKMSRPTFT 0.24
7 EEKMGRPTFT 0.24
8 EWKMGRPTFS 0.27
9 EWKMGRTTFT 0.31
10 ERKMQRPTFT 0.36
11 ERKMGRPNFT 0.38
12 ERKMGRETFT 0.4
13 ERKMSRPTFT 0.4
14 EWKMQRPNFT 0.42
15 ERKMGRPTFS 0.43
16 EEKMQRPTFT 0.44
17 EWKMQRETFT 0.44
18 EWKMSRPNFT 0.45
19 EEKMGRPNFT 0.46
20 EWKMGRENFT 0.46
21 EWKMQRPTFS 0.47
22 ERKMGRTTFT 0.47
23 EEKMSRPTFT 0.48
24 EWKMSRETFT 0.48
25 EEKMGRETFT 0.48
26 EWKMGRPNFS 0.49
27 EWKMGRETFS 0.51
28 EWKMSRPTFS 0.51
29 EEKMGRPTFS 0.51
30 EWKMQRTTFT 0.51
31 EWKMGRTNFT 0.53
32 EWKMSRTTFT 0.55
33 EEKMGRTTFT 0.56
34 EWKMGRTTFS 0.58
35 ERKMQRPNFT 0.58
36 ERKMQRETFT 0.6
37 ERKMSRPNFT 0.61
38 ERKMGRENFT 0.62
39 ERKMQRPTFS 0.63
40 ERKMSRETFT 0.64
41 ERKMGRPNFS 0.65
42 EWKMQRENFT 0.66
43 EEKMQRPNFT 0.66
44 ERKMGRETFS 0.67
45 ERKMSRPTFS 0.67
46 ERKMQRTTFT 0.67
47 EEKMQRETFT 0.68
48 ERKMGRTNFT 0.69
49 EWKMSRENFT 0.69
50 EWKMQRPNFS 0.69
51 EEKMSRPNFT 0.7
52 EEKMGRENFT 0.7
53 EEKMQRPTFS 0.71
54 EWKMQRETFS 0.71
55 ERKMSRTTFT 0.71
56 EWKMSRPNFS 0.72
57 EEKMSRETFT 0.72
58 EWKMQRTNFT 0.73
59 EEKMGRPNFS 0.73
60 EWKMGRENFS 0.73
61 ERKMGRTTFS 0.74
62 EEKMSRPTFS 0.75
63 EWKMSRETFS 0.75
64 EEKMGRETFS 0.76
65 EEKMQRTTFT 0.76
66 EEKMGRTNFT 0.77
67 EWKMSRTNFT 0.77
68 EWKMQRTTFS 0.78
69 EEKMSRTTFT 0.79
70 EWKMGRTNFS 0.8
71 ERKMQRENFT 0.82
72 EWKMSRTTFS 0.82
73 EEKMGRTTFS 0.83
74 ERKMQRPNFS 0.85
75 ERKMSRENFT 0.86
76 ERKMQRETFS 0.87
77 ERKMGRENFS 0.89
78 ERKMSRPNFS 0.89
79 ERKMQRTNFT 0.89
80 EEKMQRENFT 0.9
81 ERKMSRETFS 0.91
82 EWKMQRENFS 0.93
83 EEKMQRPNFS 0.93
84 ERKMSRTNFT 0.93
85 EEKMSRENFT 0.94
86 ERKMQRTTFS 0.94
87 EEKMQRETFS 0.95
88 EWKMSRENFS 0.96
89 ERKMGRTNFS 0.96
90 EEKMSRPNFS 0.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EEKMGRPTFS

3.8

-5.21

-1.41
2 ERKMGRPTFS

4.23

-5.45

-1.22
3 EEKMGRETFT

4.0

-5.19

-1.19
4 ERKMGRPTFT

3.92

-4.9

-0.98
5 ERKMGRTTFT

3.97

-4.83

-0.86
6 ERKMGRETFT

3.85

-4.24

-0.39
7 EEKMGRPTFT

4.67

-4.4

0.27
8 EEKMSRPTFT

4.99

-4.72

0.27
9 ERKMSRPTFT

5.0

-4.64

0.36
10 EEKMGRPNFT

3.56

-3.12

0.44
11 EWKMGRETFS

6.07

-5.58

0.49
12 ERKMGRPNFT

4.18

-3.6

0.58
13 EWKMGRETFT

5.76

-5.0

0.76
14 EWKMGRPTFS

6.29

-5.29

1.0
15 EWKMGRPTFT

6.17

-4.89

1.28
16 EEKMQRPTFT

5.83

-4.52

1.31
17 EWKMSRPTFT

6.18

-4.65

1.53
18 EWKMSRPTFS

7.05

-5.39

1.66
19 EWKMGRTTFT

6.53

-4.6

1.93
20 ERKMQRPTFT

6.4

-4.47

1.93
21 EWKMGRPNFS

5.86

-3.61

2.25
22 EWKMGRENFT

5.92

-3.63

2.29
23 EWKMGRPNFT

5.14

-2.78

2.36
24 EWKMSRETFT

6.9

-4.35

2.55
25 EWKMQRPTFT

7.3

-4.63

2.67
26 EWKMQRPTFS

8.2

-5.18

3.02
27 EWKMQRETFT

7.66

-4.53

3.13
28 EWKMQRTTFT

8.39

-5.08

3.31
29 EWKMSRPNFT

6.88

-2.95

3.93
30 EWKMQRPNFT

8.06

-3.1

4.96

 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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