Predicted ligand sequences


ADAN-name: 2O9V2.PDB (view again the scoring matrix)

PDB name: [2O9V.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V P P P V P P P P S
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
 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 0.983 ΔGbinding -11.510
TOTAL
 -10.527
Backbone Hb -1.200 Cis_bond 0.000
Sidechain Hb -1.300 Torsional clash 0.020
Van der Waals -6.810 Backbone clash 0.340
Electrostatics 0.440 Helix dipole 0.000
Solvation Polar 4.900 Water bridges -0.270
Solvation Hyd -10.200 Disulfide 0.000
VdW clashes 0.200 Electrost. Kon 0.280
Entropy sc 1.880 Part.cov.bonds 0.000
Entropy mc

0.540

 ΔGstability

-13.840
       

Predicted ligand sequences for template [2O9V2.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).
 
  2O9V2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PPPRIPRRIH 0.0
2 DPPRIPRRIH 0.0
3 GPPRIPRRIH 0.02
4 DPPHIPRRIH 0.04
5 PPPHIPRRIH 0.04
6 GPPHIPRRIH 0.06
7 DPPRIPGRIH 0.08
8 PPPRIPGRIH 0.08
9 PPPKIPRRIH 0.09
10 DPPKIPRRIH 0.09
11 GPPRIPGRIH 0.1
12 DPPRIPTRIH 0.1
13 PPPRIPTRIH 0.1
14 PPPRIPRRIR 0.11
15 DPPRIPRRIR 0.11
16 GPPKIPRRIH 0.11
17 PPPHIPGRIH 0.12
18 GPPRIPTRIH 0.12
19 DPPHIPGRIH 0.12
20 GPPRIPRRIR 0.13
21 PPPHIPTRIH 0.14
22 DPPRMPRRIH 0.14
23 GPPHIPGRIH 0.14
24 DPPHIPTRIH 0.14
25 PPPRMPRRIH 0.14
26 DPPHIPRRIR 0.15
27 PPPHIPRRIR 0.15
28 GPPRMPRRIH 0.16
29 GPPHIPTRIH 0.16
30 PPPKIPGRIH 0.17
31 DPPKIPGRIH 0.17
32 GPPHIPRRIR 0.17
33 PPPHMPRRIH 0.18
34 DPPHMPRRIH 0.18
35 PPPKIPTRIH 0.19
36 DPPRIPGRIR 0.19
37 PPPRIPRCIH 0.19
38 GPPKIPGRIH 0.19
39 DPPKIPTRIH 0.19
40 DPPRIPRCIH 0.19
41 PPPRIPGRIR 0.19
42 PPPKIPRRIR 0.2
43 GPPHMPRRIH 0.2
44 DPPKIPRRIR 0.2
45 GPPRIPRCIH 0.21
46 GPPKIPTRIH 0.21
47 GPPRIPGRIR 0.21
48 DPPRIPTRIR 0.22
49 DPPRMPGRIH 0.22
50 GPPKIPRRIR 0.22
51 PPPRMPGRIH 0.22
52 PPPRIPTRIR 0.22
53 PPPRIPRRIK 0.23
54 PPPHIPGRIR 0.23
55 DPPKMPRRIH 0.23
56 GPPRIPTRIR 0.23
57 DPPHIPGRIR 0.23
58 PPPHIPRCIH 0.23
59 DPPRIPRRIK 0.23
60 PPPKMPRRIH 0.23
61 DPPHIPRCIH 0.23
62 DPPRIPRIIH 0.24
63 PPPRMPTRIH 0.24
64 GPPRMPGRIH 0.24
65 DPPRMPTRIH 0.24
66 PPPRIPRIIH 0.24
67 DPPRMPRRIR 0.25
68 GPPHIPGRIR 0.25
69 GPPHIPRCIH 0.25
70 DDPRIPRRIH 0.25
71 GPPKMPRRIH 0.25
72 PPPRMPRRIR 0.25
73 PDPRIPRRIH 0.25
74 PPPHIPTRIR 0.26
75 GPPRMPTRIH 0.26
76 GPPRIPRIIH 0.26
77 PPPHMPGRIH 0.26
78 DPPHMPGRIH 0.26
79 GPPRIPRRIK 0.26
80 DPPHIPTRIR 0.26
81 PPPRIPGCIH 0.27
82 DPPHIPRRIK 0.27
83 GDPRIPRRIH 0.27
84 DPPRIPGCIH 0.27
85 GPPRMPRRIR 0.27
86 PPPHIPRRIK 0.27
87 GPPHIPTRIR 0.27
88 PPPKIPGRIR 0.28
89 PPPKIPRCIH 0.28
90 DPPKIPGRIR 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GPPRIPRRIR

2.44

-17.32

-14.88
2 PPPRIPRRIR

2.91

-17.76

-14.85
3 DPPRMPRRIH

1.9

-16.72

-14.82
4 GPPKIPRRIH

2.07

-16.52

-14.45
5 DPPHIPRRIH

2.0

-16.41

-14.41
6 GPPRIPRRIH

2.05

-16.38

-14.33
7 DPPHIPRRIR

2.54

-16.85

-14.31
8 PPPHIPGRIH

1.9

-16.2

-14.3
9 PPPHIPRRIR

2.77

-17.04

-14.27
10 GPPHIPRRIH

1.86

-15.9

-14.04
11 DPPRIPRRIR

2.66

-16.7

-14.04
12 PPPKIPRRIH

2.03

-16.03

-14.0
13 PPPRIPRRIH

1.85

-15.68

-13.83
14 GPPRMPRRIH

1.81

-15.57

-13.76
15 PPPHIPRRIH

2.09

-15.83

-13.74
16 DPPRIPRRIH

1.9

-15.6

-13.7
17 PPPKIPGRIH

1.95

-15.58

-13.63
18 PPPRMPRRIH

2.02

-15.52

-13.5
19 GPPHIPGRIH

2.11

-15.55

-13.44
20 DPPRIPTRIH

1.91

-15.35

-13.44
21 DPPHIPGRIH

2.29

-15.63

-13.34
22 DPPHIPTRIH

2.16

-15.46

-13.3
23 DPPKIPRRIH

2.24

-15.53

-13.29
24 PPPHIPTRIH

1.97

-15.25

-13.28
25 GPPRIPTRIH

1.97

-15.24

-13.27
26 PPPRIPGRIH

2.23

-15.46

-13.23
27 DPPRIPGRIH

1.89

-15.07

-13.18
28 PPPRIPTRIH

2.25

-15.37

-13.12
29 GPPHIPTRIH

1.92

-14.86

-12.94
30 GPPRIPGRIH

2.05

-14.73

-12.68

 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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