Predicted ligand sequences (modelled structure)


ADAN-name: CYK3_1QCF-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 3.556 ΔGbinding -2.403
TOTAL
 1.153
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.350
Van der Waals -3.008 Backbone clash -0.000
Electrostatics -0.052 Helix dipole 0.000
Solvation Polar 2.785 Water bridges 0.013
Solvation Hyd -4.335 Disulfide 0.000
VdW clashes 0.046 Electrost. Kon -0.072
Entropy sc 0.571 Part.cov.bonds 0.000
Entropy mc

1.574

 ΔGstability

36.877
       

Predicted ligand sequences for model [CYK3_1QCF-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).
 
  CYK3_1QCF-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 KDPIPPWW 0.0
2 KDDIPPWW 0.04
3 WDPIPPWW 0.04
4 KEPIPPWW 0.06
5 WDDIPPWW 0.08
6 KEDIPPWW 0.1
7 WEPIPPWW 0.1
8 KDKIPPWW 0.14
9 WEDIPPWW 0.14
10 WDKIPPWW 0.18
11 IDPIPPWW 0.2
12 KEKIPPWW 0.2
13 WEKIPPWW 0.24
14 IDDIPPWW 0.24
15 IEPIPPWW 0.25
16 IEDIPPWW 0.29
17 KLPIPPWW 0.32
18 IDKIPPWW 0.34
19 KDPIPVWW 0.34
20 KLDIPPWW 0.36
21 WLPIPPWW 0.36
22 KDPFPPWW 0.37
23 WDPIPVWW 0.38
24 KDDIPVWW 0.38
25 KDPIPEWW 0.39
26 WLDIPPWW 0.4
27 IEKIPPWW 0.4
28 KEPIPVWW 0.4
29 WDPFPPWW 0.41
30 KDDFPPWW 0.41
31 WDDIPVWW 0.42
32 WDPIPEWW 0.43
33 KDDIPEWW 0.43
34 KEPFPPWW 0.43
35 KEDIPVWW 0.44
36 WEPIPVWW 0.44
37 KEPIPEWW 0.45
38 WDDFPPWW 0.45
39 KDPWPPWW 0.46
40 KLKIPPWW 0.46
41 KEDFPPWW 0.47
42 WDDIPEWW 0.47
43 KDPILPWW 0.47
44 WEPFPPWW 0.47
45 WEDIPVWW 0.48
46 KDKIPVWW 0.48
47 WEPIPEWW 0.49
48 KDPIFPWW 0.49
49 KEDIPEWW 0.49
50 WDPWPPWW 0.5
51 WLKIPPWW 0.5
52 KDPIPPWM 0.5
53 KDDWPPWW 0.5
54 ILPIPPWW 0.51
55 WEDFPPWW 0.51
56 WDPILPWW 0.51
57 KDKFPPWW 0.51
58 WDKIPVWW 0.52
59 KDDILPWW 0.52
60 KEPWPPWW 0.52
61 WDPIFPWW 0.53
62 WEDIPEWW 0.53
63 KDDIFPWW 0.53
64 KEPILPWW 0.53
65 IDPIPVWW 0.54
66 KDDIPPWM 0.54
67 KDKIPEWW 0.54
68 KEKIPVWW 0.54
69 WDPIPPWM 0.54
70 WDDWPPWW 0.54
71 ILDIPPWW 0.55
72 WDKFPPWW 0.55
73 WDDILPWW 0.55
74 KEPIFPWW 0.55
75 KEPIPPWM 0.56
76 WEPWPPWW 0.56
77 KEDWPPWW 0.56
78 WDDIFPWW 0.57
79 KEDILPWW 0.57
80 KEKFPPWW 0.57
81 WDKIPEWW 0.57
82 IDPFPPWW 0.57
83 WEPILPWW 0.57
84 WEKIPVWW 0.58
85 WDDIPPWM 0.58
86 IDDIPVWW 0.58
87 IDPIPEWW 0.59
88 KEKIPEWW 0.59
89 WEPIPPWM 0.59
90 KEDIFPWW 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WEDIPPWW

3.37

-11.01

-7.64
2 WEKIPPWW

3.57

-11.17

-7.6
3 KDPIPPWW

3.72

-11.15

-7.43
4 WDPFPPWW

3.69

-11.06

-7.37
5 WEPIPPWW

3.64

-10.78

-7.14
6 KDPIPEWW

3.83

-10.87

-7.04
7 KLPIPPWW

3.59

-10.6

-7.01
8 KEDIPPWW

3.55

-10.27

-6.72
9 WDPIPPWW

4.01

-10.61

-6.6
10 WDKIPPWW

3.66

-10.22

-6.56
11 KEKIPPWW

3.64

-10.1

-6.46
12 KEPIPPWW

4.4

-10.75

-6.35
13 KDPIPVWW

3.91

-10.21

-6.3
14 WLPIPPWW

3.67

-9.93

-6.26
15 KLDIPPWW

3.68

-9.92

-6.24
16 WDDIPPWW

3.56

-9.71

-6.15
17 KDDIPVWW

3.4

-9.54

-6.14
18 WDPIPVWW

3.7

-9.81

-6.11
19 KDDIPPWW

3.52

-9.6

-6.08
20 WLDIPPWW

3.72

-9.67

-5.95
21 KEPIPVWW

3.69

-9.58

-5.89
22 KDKIPPWW

3.75

-9.62

-5.87
23 KDDFPPWW

3.85

-9.71

-5.86
24 KDPFPPWW

3.7

-9.5

-5.8
25 IDPIPPWW

4.01

-9.79

-5.78
26 IEDIPPWW

3.79

-9.02

-5.23
27 IEPIPPWW

4.05

-9.12

-5.07
28 IDDIPPWW

3.58

-8.02

-4.44
29 IEKIPPWW

4.03

-8.45

-4.42
30 IDKIPPWW

4.22

-8.41

-4.19

 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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