Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 1.951 ΔGbinding -1.675
TOTAL
 0.276
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.767
Van der Waals -2.995 Backbone clash 0.083
Electrostatics 0.262 Helix dipole 0.000
Solvation Polar 2.924 Water bridges -0.009
Solvation Hyd -4.166 Disulfide 0.000
VdW clashes 0.071 Electrost. Kon 0.352
Entropy sc 0.462 Part.cov.bonds 0.000
Entropy mc

1.932

 ΔGstability

12.795
       

Predicted ligand sequences for model [LSB3_1OOT-11.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).
 
  LSB3_1OOT-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPKMYR 0.0
2 FRPRMYR 0.15
3 FRPMMYR 0.15
4 FPPKMYR 0.15
5 FEPKMYR 0.15
6 FWPKMYR 0.26
7 FRRKMYR 0.28
8 FEPRMYR 0.3
9 FEPMMYR 0.3
10 FPPRMYR 0.3
11 FPPMMYR 0.3
12 FRKKMYR 0.35
13 FRFKMYR 0.39
14 FWPRMYR 0.41
15 FWPMMYR 0.41
16 FRIKMYR 0.42
17 FRRRMYR 0.43
18 FRRMMYR 0.43
19 FPRKMYR 0.43
20 FERKMYR 0.43
21 FPKKMYR 0.5
22 FEKKMYR 0.5
23 FRKMMYR 0.5
24 FRKRMYR 0.5
25 FPFKMYR 0.54
26 FWRKMYR 0.54
27 FEFKMYR 0.54
28 FRFMMYR 0.54
29 FRFRMYR 0.54
30 FRPKRYR 0.56
31 FRIRMYR 0.57
32 FRIMMYR 0.57
33 FEIKMYR 0.57
34 FPIKMYR 0.57
35 FERRMYR 0.58
36 FRPIMYR 0.58
37 FPRRMYR 0.58
38 FERMMYR 0.58
39 FPRMMYR 0.58
40 FWKKMYR 0.61
41 FWFKMYR 0.65
42 FEKMMYR 0.65
43 FPKRMYR 0.65
44 FPKMMYR 0.65
45 FEKRMYR 0.65
46 FWIKMYR 0.68
47 FWRMMYR 0.69
48 FPFRMYR 0.69
49 FEFRMYR 0.69
50 FEFMMYR 0.69
51 FWRRMYR 0.69
52 FPFMMYR 0.69
53 FPPKRYR 0.71
54 FPIRMYR 0.71
55 FRPMRYR 0.71
56 FRPRRYR 0.71
57 FEIRMYR 0.72
58 FPIMMYR 0.72
59 FEIMMYR 0.72
60 FEPKRYR 0.72
61 FPPIMYR 0.73
62 FEPIMYR 0.74
63 FWKRMYR 0.76
64 FWKMMYR 0.76
65 FWFRMYR 0.8
66 FWFMMYR 0.8
67 FWPKRYR 0.82
68 FWIMMYR 0.83
69 FWIRMYR 0.83
70 FRRKRYR 0.84
71 FWPIMYR 0.84
72 FRRIMYR 0.86
73 FPPRRYR 0.86
74 FPPMRYR 0.86
75 FEPRRYR 0.87
76 FEPMRYR 0.87
77 FRKKRYR 0.91
78 FRKIMYR 0.93
79 FRFKRYR 0.95
80 FRFIMYR 0.97
81 FWPMRYR 0.97
82 FWPRRYR 0.97
83 FRIKRYR 0.98
84 FRRRRYR 0.99
85 FRRMRYR 0.99
86 FPRKRYR 0.99
87 FRIIMYR 1.0
88 FERKRYR 1.0
89 FPRIMYR 1.01
90 FERIMYR 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FEPKMYR

1.65

-9.36

-7.71
2 FPKKMYR

2.18

-9.43

-7.25
3 FEPMMYR

2.44

-9.55

-7.11
4 FEKKMYR

2.48

-9.44

-6.96
5 FERKMYR

1.52

-8.42

-6.9
6 FRPMMYR

1.52

-8.22

-6.7
7 FPRKMYR

1.71

-8.41

-6.7
8 FWPKMYR

1.48

-8.0

-6.52
9 FPFKMYR

1.34

-7.82

-6.48
10 FPPKMYR

1.3

-7.73

-6.43
11 FRRKMYR

1.79

-8.18

-6.39
12 FPPRMYR

1.65

-8.02

-6.37
13 FRKMMYR

1.45

-7.59

-6.14
14 FPPMMYR

1.46

-7.59

-6.13
15 FWPMMYR

1.51

-7.57

-6.06
16 FRIKMYR

1.45

-7.5

-6.05
17 FRFKMYR

1.76

-7.74

-5.98
18 FRKKMYR

1.79

-7.76

-5.97
19 FWPRMYR

1.54

-7.41

-5.87
20 FRKRMYR

1.61

-7.27

-5.66
21 FRRMMYR

1.61

-7.27

-5.66
22 FRPKMYR

1.88

-7.51

-5.63
23 FEFKMYR

1.7

-7.32

-5.62
24 FWRKMYR

1.53

-6.96

-5.43
25 FRFMMYR

1.67

-6.97

-5.3
26 FRPKRYR

1.74

-6.09

-4.35
27 FRFRMYR

2.01

-6.09

-4.08
28 FRPRMYR

1.64

-5.7

-4.06
29 FRRRMYR

1.64

-5.61

-3.97
30 FEPRMYR

1.71

-5.45

-3.74

 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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