Predicted ligand sequences


ADAN-name: 1CKA2.PDB (view again the scoring matrix)

PDB name: [1CKA.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P P P A L P P K K
position 1 2 3 4 5 6 7 8 9
poly-Ala
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 0.497 ΔGbinding -10.670
TOTAL
 -10.173
Backbone Hb -0.400 Cis_bond 0.000
Sidechain Hb -1.430 Torsional clash 0.020
Van der Waals -7.600 Backbone clash 0.260
Electrostatics -1.540 Helix dipole 0.000
Solvation Polar 6.650 Water bridges -0.410
Solvation Hyd -11.340 Disulfide 0.000
VdW clashes 0.270 Electrost. Kon -0.930
Entropy sc 4.660 Part.cov.bonds 0.000
Entropy mc

1.360

 ΔGstability

-8.570
       

Predicted ligand sequences for template [1CKA2.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).
 
  1CKA2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPFMPHRR 0.0
2 RPPFMPRRR 0.01
3 RPPYMPHRR 0.03
4 RPPYMPRRR 0.04
5 GPPFMPHRR 0.04
6 SPPFMPHRR 0.05
7 GPPFMPRRR 0.06
8 SPPFMPRRR 0.07
9 GPPYMPHRR 0.07
10 SPPYMPHRR 0.08
11 GPPYMPRRR 0.09
12 SPPYMPRRR 0.1
13 RPPFMPKRR 0.14
14 RPPYMPKRR 0.17
15 GPPFMPKRR 0.18
16 RPPFMPHRF 0.19
17 RPPFMPHRK 0.19
18 SPPFMPKRR 0.19
19 RPPFMPRRK 0.21
20 RPPFMPRRF 0.21
21 GPPYMPKRR 0.21
22 RPPYMPHRF 0.22
23 RPPYMPHRK 0.22
24 SPPYMPKRR 0.22
25 RPPYMPRRF 0.23
26 GPPFMPHRF 0.23
27 GPPFMPHRK 0.23
28 RPPYMPRRK 0.24
29 SPPFMPHRK 0.24
30 SPPFMPHRF 0.24
31 GPPFMPRRF 0.25
32 GPPFMPRRK 0.25
33 RPPKMPHRR 0.25
34 SPPFMPRRK 0.26
35 GPPYMPHRK 0.26
36 GPPYMPHRF 0.26
37 SPPFMPRRF 0.26
38 SPPYMPHRK 0.27
39 SPPYMPHRF 0.27
40 RPPKMPRRR 0.27
41 GPPYMPRRF 0.28
42 GPPYMPRRK 0.28
43 SPPYMPRRF 0.29
44 SPPYMPRRK 0.29
45 GPPKMPHRR 0.29
46 RPPFLPHRR 0.3
47 SPPKMPHRR 0.3
48 GPPKMPRRR 0.31
49 SPPKMPRRR 0.32
50 RPPFLPRRR 0.32
51 RPPFMPKRF 0.33
52 RPPFMPKRK 0.33
53 RPPYLPHRR 0.33
54 GPPFLPHRR 0.34
55 RPPYLPRRR 0.34
56 SPPFLPHRR 0.35
57 GPPFLPRRR 0.35
58 RPPYMPKRF 0.35
59 GPPFMPKRF 0.36
60 SPPFLPRRR 0.36
61 RPPYMPKRK 0.36
62 GPPFMPKRK 0.37
63 GPPYLPHRR 0.37
64 SPPYLPHRR 0.38
65 SPPFMPKRF 0.38
66 SPPFMPKRK 0.38
67 GPPYLPRRR 0.39
68 RPPKMPKRR 0.39
69 SPPYLPRRR 0.4
70 GPPYMPKRF 0.4
71 GPPYMPKRK 0.4
72 SPPYMPKRK 0.41
73 SPPYMPKRF 0.41
74 GPPKMPKRR 0.43
75 RPRFMPHRR 0.44
76 RPPFLPKRR 0.44
77 RPPKMPHRF 0.44
78 SPPKMPKRR 0.44
79 RPPKMPHRK 0.45
80 RPPYLPKRR 0.46
81 RPRFMPRRR 0.46
82 RPPKMPRRF 0.46
83 RPPKMPRRK 0.46
84 RPRYMPHRR 0.47
85 GPPFLPKRR 0.47
86 SPPFLPKRR 0.48
87 GPRFMPHRR 0.48
88 GPPKMPHRF 0.48
89 GPPKMPHRK 0.48
90 SPRFMPHRR 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GPPYMPRRR

0.82

-15.95

-15.13
2 RPPFMPHRR

0.92

-15.56

-14.64
3 RPPFMPRRR

0.78

-15.26

-14.48
4 RPPFMPRRK

0.76

-15.21

-14.45
5 RPPYMPRRR

0.8

-15.1

-14.3
6 GPPFMPRRR

0.76

-14.96

-14.2
7 GPPFMPHRR

0.73

-14.81

-14.08
8 GPPYMPKRR

0.76

-14.77

-14.01
9 RPPFMPKRR

0.67

-14.68

-14.01
10 SPPFMPRRR

0.71

-14.71

-14.0
11 RPPYMPHRR

0.89

-14.89

-14.0
12 GPPFMPKRR

0.62

-14.58

-13.96
13 RPPFMPHRF

0.82

-14.72

-13.9
14 SPPFMPHRR

0.71

-14.6

-13.89
15 SPPFMPKRR

0.61

-14.47

-13.86
16 SPPYMPHRR

0.68

-14.51

-13.83
17 SPPYMPRRR

0.78

-14.59

-13.81
18 GPPFMPHRK

0.71

-14.49

-13.78
19 GPPYMPHRR

0.78

-14.51

-13.73
20 RPPFMPHRK

0.82

-14.55

-13.73
21 SPPYMPKRR

0.74

-14.45

-13.71
22 RPPYMPHRK

0.75

-14.42

-13.67
23 RPPYMPKRR

0.98

-14.59

-13.61
24 RPPFMPRRF

0.88

-14.41

-13.53
25 RPPYMPRRK

0.76

-14.28

-13.52
26 SPPFMPHRF

0.83

-14.33

-13.5
27 GPPFMPHRF

0.77

-14.16

-13.39
28 RPPYMPHRF

0.89

-14.2

-13.31
29 RPPYMPRRF

0.84

-14.08

-13.24
30 SPPFMPHRK

0.54

-13.53

-12.99

 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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