Predicted ligand sequences


ADAN-name: 1O6L2.PDB (view again the scoring matrix)

PDB name: [1O6L.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G R P R T T S F A E
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
G
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 5.136 ΔGbinding -22.446
TOTAL
 -17.310
Backbone Hb -4.713 Cis_bond 0.000
Sidechain Hb -10.063 Torsional clash 0.412
Van der Waals -12.815 Backbone clash 0.015
Electrostatics -8.691 Helix dipole -0.016
Solvation Polar 20.478 Water bridges -0.438
Solvation Hyd -15.514 Disulfide 0.000
VdW clashes 0.353 Electrost. Kon -3.482
Entropy sc 6.034 Part.cov.bonds 0.000
Entropy mc

6.007

 ΔGstability

-43.121
       

Predicted ligand sequences for template [1O6L2.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).
 
  1O6L2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKHRRRRFRW 0.0
2 RKHRRWRFRW 0.02
3 WKHRRRRFRW 0.08
4 WKHRRWRFRW 0.1
5 FKHRRRRFRW 0.11
6 YKHRRRRFRW 0.13
7 FKHRRWRFRW 0.13
8 YKHRRWRFRW 0.15
9 RKHRFRRFRW 0.23
10 RKHRRHRFRW 0.25
11 RKHRFWRFRW 0.25
12 RKHRRRYFRW 0.26
13 RKHRRWYFRW 0.28
14 RKHRRFRFRW 0.31
15 WKHRFRRFRW 0.31
16 WKHRRHRFRW 0.33
17 WKHRFWRFRW 0.33
18 FKHRFRRFRW 0.34
19 WKHRRRYFRW 0.35
20 FKHRRHRFRW 0.36
21 YKHRFRRFRW 0.36
22 WKHRRWYFRW 0.36
23 FKHRFWRFRW 0.36
24 FKHRRRYFRW 0.37
25 YKHRRHRFRW 0.38
26 YKHRFWRFRW 0.38
27 FKHRRWYFRW 0.39
28 WKHRRFRFRW 0.39
29 YKHRRRYFRW 0.39
30 YKHRRWYFRW 0.41
31 FKHRRFRFRW 0.41
32 RKHRRRFFRW 0.42
33 YKHRRFRFRW 0.44
34 RKHRRWFFRW 0.44
35 RKHRFHRFRW 0.48
36 RKHRFRYFRW 0.49
37 WKHRRRFFRW 0.5
38 RKHRFWYFRW 0.51
39 RKHRRHYFRW 0.51
40 WKHRRWFFRW 0.52
41 FKHRRRFFRW 0.53
42 RKHRFFRFRW 0.54
43 FKHRRWFFRW 0.55
44 YKHRRRFFRW 0.55
45 WKHRFHRFRW 0.56
46 YKHRRWFFRW 0.57
47 RKHRRFYFRW 0.57
48 WKHRFRYFRW 0.57
49 WKHRRHYFRW 0.59
50 FKHRFHRFRW 0.59
51 WKHRFWYFRW 0.59
52 FKHRFRYFRW 0.6
53 YKHRFHRFRW 0.61
54 FKHRFWYFRW 0.62
55 WKHRFFRFRW 0.62
56 YKHRFRYFRW 0.62
57 FKHRRHYFRW 0.62
58 YKHRRHYFRW 0.64
59 YKHRFWYFRW 0.64
60 RKHRFRFFRW 0.65
61 FKHRFFRFRW 0.65
62 WKHRRFYFRW 0.65
63 YKHRFFRFRW 0.67
64 RKHRFWFFRW 0.67
65 RKHRRHFFRW 0.67
66 FKHRRFYFRW 0.68
67 YKHRRFYFRW 0.7
68 RKHRRFFFRW 0.73
69 WKHRFRFFRW 0.73
70 RKHRFHYFRW 0.74
71 WKHRFWFFRW 0.75
72 WKHRRHFFRW 0.75
73 FKHRFRFFRW 0.76
74 FKHRRHFFRW 0.78
75 FKHRFWFFRW 0.78
76 YKHRFRFFRW 0.78
77 RKHRFFYFRW 0.8
78 YKHRFWFFRW 0.8
79 YKHRRHFFRW 0.8
80 WKHRRFFFRW 0.81
81 WKHRFHYFRW 0.82
82 FKHRRFFFRW 0.83
83 FKHRFHYFRW 0.85
84 YKHRRFFFRW 0.86
85 YKHRFHYFRW 0.87
86 WKHRFFYFRW 0.88
87 RKHRFHFFRW 0.9
88 FKHRFFYFRW 0.91
89 YKHRFFYFRW 0.93
90 RKHRFFFFRW 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FKHRRRYFRW

5.09

-29.98

-24.89
2 FKHRFRRFRW

4.67

-28.99

-24.32
3 YKHRRWYFRW

4.83

-27.42

-22.59
4 RKHRFRRFRW

3.72

-26.3

-22.58
5 YKHRRWRFRW

5.2

-26.49

-21.29
6 RKHRFWRFRW

3.71

-24.82

-21.11
7 RKHRRRRFRW

5.88

-26.92

-21.04
8 WKHRRFRFRW

5.17

-26.14

-20.97
9 YKHRFRRFRW

5.09

-25.72

-20.63
10 WKHRFRRFRW

3.83

-24.07

-20.24
11 YKHRRRYFRW

5.28

-25.33

-20.05
12 YKHRRRRFRW

5.2

-25.11

-19.91
13 FKHRRHRFRW

4.77

-24.65

-19.88
14 WKHRRRRFRW

4.69

-23.92

-19.23
15 WKHRRRYFRW

5.54

-24.59

-19.05
16 YKHRRHRFRW

4.92

-23.97

-19.05
17 RKHRRFRFRW

4.75

-23.7

-18.95
18 FKHRFWRFRW

4.7

-22.96

-18.26
19 RKHRRRYFRW

5.19

-22.8

-17.61
20 WKHRFWRFRW

4.92

-22.1

-17.18
21 YKHRFWRFRW

4.44

-21.48

-17.04
22 FKHRRRRFRW

6.39

-22.89

-16.5
23 RKHRRWRFRW

5.94

-22.39

-16.45
24 WKHRRHRFRW

5.65

-21.51

-15.86
25 RKHRRWYFRW

6.08

-21.58

-15.5
26 FKHRRWYFRW

6.07

-21.41

-15.34
27 FKHRRWRFRW

6.07

-21.31

-15.24
28 WKHRRWRFRW

6.33

-21.41

-15.08
29 WKHRRWYFRW

6.31

-21.05

-14.74
30 RKHRRHRFRW

5.67

-18.82

-13.15

 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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