Predicted ligand sequences


ADAN-name: 1OV32.PDB (view again the scoring matrix)

PDB name: [1OV3.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q P P S N P P P R P P
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
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 0.460 ΔGbinding -11.070
TOTAL
 -10.610
Backbone Hb -0.320 Cis_bond 0.000
Sidechain Hb -3.220 Torsional clash 0.060
Van der Waals -6.220 Backbone clash 0.340
Electrostatics -3.200 Helix dipole 0.000
Solvation Polar 6.800 Water bridges -0.510
Solvation Hyd -7.480 Disulfide 0.000
VdW clashes 0.080 Electrost. Kon -1.580
Entropy sc 3.530 Part.cov.bonds 0.000
Entropy mc

0.990

 ΔGstability

-6.960
       

Predicted ligand sequences for template [1OV32.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).
 
  1OV32.PDB  

(data)
# Predicted Sequences Value Calculate
1 FWDDMIVRRRR 0.0
2 FWDEMIVRRRR 0.0
3 YWDDMIVRRRR 0.0
4 WWDEMIVRRRR 0.0
5 WWDDMIVRRRR 0.0
6 YWDEMIVRRRR 0.0
7 YWDDMIVRRWR 0.01
8 FWDPMIVRRRR 0.01
9 YWDEMIWRRRR 0.01
10 WWDDMIVRRWR 0.01
11 WWDEMIVRRWR 0.01
12 YWDEMIVRRWR 0.01
13 YWDPMIVRRRR 0.01
14 WWDPMIVRRRR 0.01
15 FWDEMIVRRWR 0.01
16 FWDEMIWRRRR 0.01
17 FWDDMIVRRWR 0.01
18 WWDEMIWRRRR 0.01
19 YWDPMIWRRRR 0.02
20 YWDEMIIRRRR 0.02
21 WWDPMIVRRWR 0.02
22 FWDDMIWRRRR 0.02
23 FWDPMIWRRRR 0.02
24 YWDEMIWRRWR 0.02
25 YWDEMIVHRRR 0.02
26 FWDEMIVHRRR 0.02
27 WWDPMIWRRRR 0.02
28 FWDDMIVHRRR 0.02
29 WWDEMIWRRWR 0.02
30 YWDPMIVRRWR 0.02
31 FWDPMIVRRWR 0.02
32 FWDEMIWRRWR 0.02
33 YWDDMIVHRRR 0.02
34 FWDEMIIRRRR 0.02
35 WWDEMIVHRRR 0.02
36 WWDDMIVHRRR 0.02
37 WWDEMIIRRRR 0.02
38 YWDDMIWRRRR 0.02
39 WWDDMIWRRRR 0.02
40 FWDEMIIRRWR 0.03
41 YWDEMIWHRRR 0.03
42 WWDPMIIRRRR 0.03
43 WWDEMIWHRRR 0.03
44 FWDDMIIRRRR 0.03
45 WWDEMIVHRWR 0.03
46 YWDDMIIRRRR 0.03
47 FWDEMIWHRRR 0.03
48 WWDDMIWRRWR 0.03
49 WWDPMIVHRRR 0.03
50 YWDDMIWRRWR 0.03
51 YWDDMIVHRWR 0.03
52 YWDPMIIRRRR 0.03
53 YWDEMIIRRWR 0.03
54 YWDPMIVHRRR 0.03
55 WWDEMIIRRWR 0.03
56 FWDEMIVHRWR 0.03
57 FWDPMIIRRRR 0.03
58 FWDDMIWRRWR 0.03
59 FWDPMIVHRRR 0.03
60 WWDDMIIRRRR 0.03
61 WWDDMIVHRWR 0.03
62 YWDEMIVHRWR 0.03
63 FWDDMIVHRWR 0.03
64 FWDPMIWHRRR 0.04
65 FWDEMIIHRRR 0.04
66 YWDEMIIHRRR 0.04
67 YWDDMIIHRRR 0.04
68 FWDPMIVHRWR 0.04
69 WWDEMIIHRRR 0.04
70 FWDPMIIRRWR 0.04
71 WWDDMIIHRRR 0.04
72 WWDDMIIRRWR 0.04
73 YWDPMIVHRWR 0.04
74 YWDDMIIRRWR 0.04
75 FWDDMIWHRRR 0.04
76 WWDPMIIRRWR 0.04
77 FWDDMIIHRRR 0.04
78 FWDEMIWHRWR 0.04
79 YWDPMIIRRWR 0.04
80 YWDPMIWRRWR 0.04
81 YWDDMIWHRRR 0.04
82 WWDDMIWHRRR 0.04
83 YWDEMIWHRWR 0.04
84 WWDEMIWHRWR 0.04
85 FWDPMIWRRWR 0.04
86 WWDPMIWHRRR 0.04
87 YWDPMIWHRRR 0.04
88 WWDPMIWRRWR 0.04
89 FWDDMIIRRWR 0.04
90 WWDPMIVHRWR 0.04
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YWDEMIWRRRR

1.49

-15.41

-13.92
2 FWDEMIVHRRR

0.97

-14.7

-13.73
3 YWDEMIIRRRR

1.36

-14.93

-13.57
4 FWDDMIVRRRR

1.08

-14.53

-13.45
5 WWDEMIVRRRR

1.14

-14.54

-13.4
6 FWDEMIVRRRR

1.37

-14.76

-13.39
7 YWDDMIVRRRR

1.12

-14.47

-13.35
8 FWDDMIVHRRR

1.29

-14.43

-13.14
9 FWDPMIVRRRR

1.27

-14.21

-12.94
10 FWDPMIWRRRR

1.74

-14.63

-12.89
11 YWDEMIVRRRR

1.51

-14.34

-12.83
12 FWDEMIWRRRR

1.74

-14.42

-12.68
13 WWDDMIVRRRR

1.91

-14.59

-12.68
14 YWDEMIVHRRR

1.56

-14.23

-12.67
15 YWDPMIWRRRR

1.63

-14.2

-12.57
16 FWDDMIWRRRR

1.65

-14.22

-12.57
17 WWDPMIWRRRR

1.9

-14.4

-12.5
18 WWDEMIWRRRR

1.63

-13.93

-12.3
19 YWDPMIVRRRR

1.63

-13.92

-12.29
20 WWDPMIVRRRR

1.43

-13.43

-12.0
21 WWDEMIWRRWR

2.09

-12.9

-10.81
22 YWDDMIVRRWR

1.59

-11.37

-9.78
23 FWDEMIVRRWR

1.96

-11.34

-9.38
24 FWDDMIVRRWR

1.88

-11.16

-9.28
25 YWDEMIVRRWR

1.67

-10.68

-9.01
26 WWDDMIVRRWR

1.81

-10.57

-8.76
27 WWDEMIVRRWR

2.0

-10.39

-8.39
28 YWDEMIWRRWR

1.64

-9.71

-8.07
29 WWDPMIVRRWR

1.78

-9.84

-8.06
30 YWDPMIVRRWR

1.99

-9.97

-7.98

 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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