Predicted ligand sequences


ADAN-name: 2AK52.PDB (view again the scoring matrix)

PDB name: [2AK5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R P P K P R P R
position 1 2 3 4 5 6 7 8
poly-Ala
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 1.278 ΔGbinding -11.290
TOTAL
 -10.012
Backbone Hb -0.990 Cis_bond 0.000
Sidechain Hb -4.790 Torsional clash 0.100
Van der Waals -6.220 Backbone clash 0.240
Electrostatics -2.420 Helix dipole 0.000
Solvation Polar 6.650 Water bridges -0.130
Solvation Hyd -7.610 Disulfide 0.000
VdW clashes 0.450 Electrost. Kon -1.230
Entropy sc 3.050 Part.cov.bonds 0.000
Entropy mc

1.860

 ΔGstability

0.190
       

Predicted ligand sequences for template [2AK52.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).
 
  2AK52.PDB  

(data)
# Predicted Sequences Value Calculate
1 DMPRPPNR 0.0
2 EMPRPPNR 0.02
3 AMPRPPNR 0.03
4 DMPRMPNR 0.09
5 DMPHPPNR 0.09
6 DMPKPPNR 0.1
7 EMPRMPNR 0.11
8 EMPHPPNR 0.11
9 AMPRMPNR 0.12
10 AMPHPPNR 0.12
11 EMPKPPNR 0.12
12 DMPRPPCR 0.12
13 DMPRPPGR 0.12
14 AMPKPPNR 0.13
15 EMPRPPCR 0.14
16 EMPRPPGR 0.14
17 AMPRPPGR 0.15
18 AMPRPPCR 0.15
19 DMPRPKNR 0.17
20 DMPHMPNR 0.18
21 EMPRPKNR 0.19
22 DMPKMPNR 0.19
23 EMPHMPNR 0.2
24 AMPRPKNR 0.2
25 DMPRPRNR 0.2
26 EMPKMPNR 0.21
27 DMPRMPGR 0.21
28 AMPHMPNR 0.21
29 DMPHPPCR 0.21
30 DMPRMPCR 0.21
31 DMPHPPGR 0.21
32 DMPKPPCR 0.22
33 AMPKMPNR 0.22
34 EMPRPRNR 0.22
35 DMPKPPGR 0.22
36 AMPRPRNR 0.23
37 EMPRMPGR 0.23
38 EMPHPPGR 0.23
39 EMPRMPCR 0.23
40 EMPHPPCR 0.23
41 EMPKPPGR 0.24
42 AMPHPPCR 0.24
43 AMPHPPGR 0.24
44 AMPRMPCR 0.24
45 AMPRMPGR 0.24
46 EMPKPPCR 0.24
47 AMPKPPGR 0.25
48 DRPRPPNR 0.25
49 AMPKPPCR 0.25
50 DMPHPKNR 0.26
51 DMPRMKNR 0.26
52 DMPKPKNR 0.27
53 ERPRPPNR 0.27
54 EMPHPKNR 0.28
55 EMPRMKNR 0.28
56 ARPRPPNR 0.28
57 DMPRMRNR 0.29
58 AMPHPKNR 0.29
59 AMPRMKNR 0.29
60 DMPRPKCR 0.29
61 DMPHPRNR 0.29
62 EMPKPKNR 0.29
63 DMPRPKGR 0.29
64 DMPKPRNR 0.3
65 AMPKPKNR 0.3
66 DMPHMPCR 0.3
67 DMPHMPGR 0.3
68 EMPRPKGR 0.31
69 EMPHPRNR 0.31
70 EMPRMRNR 0.31
71 DMPKMPCR 0.31
72 DMPKMPGR 0.31
73 EMPRPKCR 0.31
74 AMPRMRNR 0.32
75 AMPRPKGR 0.32
76 DMPRPRCR 0.32
77 AMPRPKCR 0.32
78 AMPHPRNR 0.32
79 DMPRPRGR 0.32
80 EMPHMPCR 0.32
81 EMPKPRNR 0.32
82 EMPHMPGR 0.32
83 AMPHMPGR 0.33
84 EMPKMPGR 0.33
85 AMPHMPCR 0.33
86 EMPKMPCR 0.33
87 DRPRMPNR 0.33
88 AMPKPRNR 0.33
89 DRPHPPNR 0.33
90 DRPKPPNR 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 AMPRPPNR

0.94

-13.89

-12.95
2 EMPKPPNR

1.07

-13.93

-12.86
3 DMPHPPNR

1.1

-13.92

-12.82
4 DMPRPPNR

1.17

-13.87

-12.7
5 DMPKMPNR

1.36

-13.98

-12.62
6 AMPHPPNR

1.17

-13.73

-12.56
7 EMPRPPNR

1.27

-13.79

-12.52
8 EMPKMPNR

1.33

-13.82

-12.49
9 AMPRMPNR

1.59

-14.03

-12.44
10 EMPRMPNR

1.47

-13.9

-12.43
11 DMPRMPNR

1.4

-13.77

-12.37
12 DMPKPPNR

1.27

-13.62

-12.35
13 AMPKPPNR

1.21

-13.55

-12.34
14 EMPHMPNR

1.32

-13.6

-12.28
15 EMPHPPNR

1.14

-13.32

-12.18
16 DMPRPRNR

1.32

-13.44

-12.12
17 AMPHMPNR

1.3

-13.27

-11.97
18 AMPRPKNR

1.11

-12.97

-11.86
19 DMPHMPNR

1.33

-13.19

-11.86
20 DMPRPPGR

1.14

-12.98

-11.84
21 EMPRPPGR

1.05

-12.86

-11.81
22 EMPRPPCR

1.05

-12.78

-11.73
23 DMPRPKNR

1.34

-12.98

-11.64
24 AMPRPPGR

1.08

-12.67

-11.59
25 DMPHPPCR

1.12

-12.64

-11.52
26 EMPRPKNR

1.13

-12.5

-11.37
27 DMPRPPCR

1.21

-12.53

-11.32
28 DMPRMPGR

1.26

-12.5

-11.24
29 AMPRPPCR

1.09

-12.31

-11.22
30 DMPRMPCR

1.34

-12.32

-10.98

 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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