Predicted ligand sequences


ADAN-name: 1OV33.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 1.349 ΔGbinding -13.860
TOTAL
 -12.511
Backbone Hb -0.640 Cis_bond 0.000
Sidechain Hb -0.690 Torsional clash 0.040
Van der Waals -8.050 Backbone clash 1.100
Electrostatics -0.100 Helix dipole 0.000
Solvation Polar 5.170 Water bridges -0.230
Solvation Hyd -11.830 Disulfide 0.000
VdW clashes 0.240 Electrost. Kon -0.120
Entropy sc 1.570 Part.cov.bonds 0.000
Entropy mc

0.780

 ΔGstability

-0.010
       

Predicted ligand sequences for template [1OV33.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).
 
  1OV33.PDB  

(data)
# Predicted Sequences Value Calculate
1 GHPHFIMPDIP 0.0
2 GHPHFIMPDKP 0.01
3 AHPHFIMPDIP 0.02
4 GHPRFIMPDIP 0.03
5 AHPHFIMPDKP 0.04
6 GHPRFIMPDKP 0.05
7 AHPRFIMPDIP 0.05
8 GHPKFIMPDIP 0.07
9 AHPRFIMPDKP 0.07
10 GHPKFIMPDKP 0.09
11 AHPKFIMPDIP 0.09
12 GHPHFIMPKIP 0.1
13 GHPHFIMPGIP 0.1
14 GHPHFIMPKKP 0.11
15 AHPKFIMPDKP 0.11
16 GHPHFIMPGKP 0.11
17 AHPHFIMPGIP 0.12
18 AHPHFIMPKIP 0.12
19 AHPHFIMPGKP 0.13
20 GHPRFIMPGIP 0.13
21 AHPHFIMPKKP 0.13
22 GHPRFIMPKIP 0.13
23 HHPHFIMPDIP 0.14
24 GHPRFIMPGKP 0.14
25 GHPRFIMPKKP 0.14
26 AHPRFIMPKIP 0.15
27 AHPRFIMPGIP 0.15
28 AHPRFIMPGKP 0.16
29 GHPHFIMPDCP 0.16
30 HHPHFIMPDKP 0.16
31 AHPRFIMPKKP 0.16
32 GHPKFIMPGIP 0.17
33 HHPRFIMPDIP 0.17
34 GHPKFIMPKIP 0.17
35 GHIHFIMPDIP 0.17
36 AHPHFIMPDCP 0.17
37 GHPKFIMPKKP 0.18
38 GHPKFIMPGKP 0.18
39 AHPKFIMPKIP 0.19
40 HHPRFIMPDKP 0.19
41 AHPKFIMPGIP 0.19
42 GHIHFIMPDKP 0.19
43 GHPHFFMPDIP 0.19
44 AHIHFIMPDIP 0.19
45 GHPRFIMPDCP 0.19
46 AHPKFIMPKKP 0.2
47 GHPHFDMPDIP 0.2
48 AHPKFIMPGKP 0.2
49 GHIRFIMPDIP 0.2
50 GHPHFFMPDKP 0.21
51 HHPKFIMPDIP 0.21
52 AHPHFFMPDIP 0.21
53 AHPRFIMPDCP 0.21
54 AHIHFIMPDKP 0.21
55 GHPRFFMPDIP 0.22
56 AHIRFIMPDIP 0.22
57 GHPHFDMPDKP 0.22
58 AHPHFDMPDIP 0.22
59 GHIRFIMPDKP 0.22
60 GHPRFDMPDIP 0.23
61 GHPKFIMPDCP 0.23
62 HHPKFIMPDKP 0.23
63 AHPHFFMPDKP 0.23
64 GHIKFIMPDIP 0.24
65 AHIRFIMPDKP 0.24
66 HHPHFIMPKIP 0.24
67 GHPRFFMPDKP 0.24
68 AHPRFFMPDIP 0.24
69 AHPHFDMPDKP 0.24
70 HHPHFIMPGIP 0.24
71 GHPRFDMPDKP 0.25
72 AHPKFIMPDCP 0.25
73 HHPHFIMPKKP 0.25
74 GHPHFIMPGCP 0.25
75 HHPHFIMPGKP 0.25
76 AHPRFDMPDIP 0.25
77 GHPHFIMPKCP 0.25
78 AHIKFIMPDIP 0.26
79 GHIKFIMPDKP 0.26
80 AHPRFFMPDKP 0.26
81 GHPKFFMPDIP 0.26
82 GHPKFDMPDIP 0.27
83 GHIHFIMPKIP 0.27
84 GHIHFIMPGIP 0.27
85 HHPRFIMPGIP 0.27
86 HHPRFIMPKIP 0.27
87 AHPRFDMPDKP 0.27
88 AHPHFIMPKCP 0.27
89 AHPHFIMPGCP 0.27
90 GHPRFIMPKCP 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GHPRFIMPKKP

1.7

-15.15

-13.45
2 GHPRFIMPDKP

1.79

-15.03

-13.24
3 GHPHFIMPGKP

1.51

-14.59

-13.08
4 HHPHFIMPDKP

1.56

-14.6

-13.04
5 AHPKFIMPDKP

1.8

-14.79

-12.99
6 AHPRFIMPDKP

1.9

-14.79

-12.89
7 GHPHFIMPKKP

1.63

-14.49

-12.86
8 AHPHFIMPGKP

1.71

-14.49

-12.78
9 AHPHFIMPDKP

1.63

-14.41

-12.78
10 GHPHFIMPDKP

1.97

-14.74

-12.77
11 GHPKFIMPDKP

1.62

-14.39

-12.77
12 AHPRFIMPGKP

1.72

-14.49

-12.77
13 GHPHFIMPDIP

1.41

-14.08

-12.67
14 AHPRFIMPKIP

1.58

-14.19

-12.61
15 GHPKFIMPDIP

1.55

-14.15

-12.6
16 AHPRFIMPGIP

1.95

-14.51

-12.56
17 AHPHFIMPKKP

1.86

-14.41

-12.55
18 GHPRFIMPDIP

1.8

-14.33

-12.53
19 AHPRFIMPDIP

1.93

-14.35

-12.42
20 GHPRFIMPGKP

2.1

-14.49

-12.39
21 AHPKFIMPDIP

2.53

-14.71

-12.18
22 GHPHFIMPDCP

1.61

-13.77

-12.16
23 GHPRFIMPKIP

2.06

-13.99

-11.93
24 AHPHFIMPDIP

1.4

-13.29

-11.89
25 GHPRFIMPGIP

2.28

-14.1

-11.82
26 AHPHFIMPGIP

1.4

-13.15

-11.75
27 GHPHFIMPKIP

2.14

-13.84

-11.7
28 GHPHFIMPGIP

1.55

-13.1

-11.55
29 HHPHFIMPDIP

1.88

-13.06

-11.18
30 AHPHFIMPKIP

1.42

-11.68

-10.26

 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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