Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-8.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.943 ΔGbinding -2.614
TOTAL
 -1.671
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 1.207
Van der Waals -4.000 Backbone clash 0.014
Electrostatics 0.284 Helix dipole 0.000
Solvation Polar 4.493 Water bridges -0.017
Solvation Hyd -5.109 Disulfide 0.000
VdW clashes 0.142 Electrost. Kon 0.370
Entropy sc 1.025 Part.cov.bonds 0.000
Entropy mc

2.815

 ΔGstability

12.478
       

Predicted ligand sequences for model [LSB3_1SSH-8.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_1SSH-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWPYLDPR 0.0
2 DWPYMDPR 0.07
3 DWPYRDPR 0.15
4 DWPFLDPR 0.18
5 FWPYLDPR 0.18
6 RWPYLDPR 0.19
7 DWPFMDPR 0.25
8 FWPYMDPR 0.25
9 RWPYMDPR 0.26
10 DWPYLDHR 0.27
11 DWPYLMPR 0.28
12 DWPYLIPR 0.29
13 DWEYLDPR 0.32
14 FWPYRDPR 0.33
15 DWPYMDHR 0.34
16 RWPYRDPR 0.34
17 DWPFRDPR 0.34
18 DWPYMMPR 0.35
19 DWPYMIPR 0.36
20 FWPFLDPR 0.36
21 DWPYLDSR 0.36
22 DWPRLDPR 0.37
23 RWPFLDPR 0.38
24 DWEYMDPR 0.38
25 DWPYLDPL 0.41
26 FWPFMDPR 0.43
27 DWPYMDSR 0.43
28 DWPYRDHR 0.43
29 DWPYRMPR 0.44
30 DWPRMDPR 0.44
31 DWPYRIPR 0.44
32 RWPFMDPR 0.44
33 FWPYLDHR 0.45
34 RWPYLDHR 0.46
35 DWPFLDHR 0.46
36 FWPYLMPR 0.46
37 FWPYLIPR 0.47
38 DWEYRDPR 0.47
39 DWPFLMPR 0.47
40 RWPYLMPR 0.47
41 DWPFLIPR 0.47
42 DWPYMDPL 0.48
43 RWPYLIPR 0.48
44 FWEYLDPR 0.49
45 DWEFLDPR 0.5
46 RWEYLDPR 0.51
47 FWPFRDPR 0.52
48 FWPYMDHR 0.52
49 DWPYRDSR 0.52
50 DWPFMDHR 0.53
51 RWPYMDHR 0.53
52 RWPFRDPR 0.53
53 FWPYMMPR 0.53
54 DWPRRDPR 0.53
55 DWPFMIPR 0.54
56 DWPFMMPR 0.54
57 FWPYLDSR 0.54
58 RWPYMMPR 0.54
59 FWPYMIPR 0.54
60 DWPFLDSR 0.55
61 FWPRLDPR 0.55
62 RWPYMIPR 0.55
63 RWPYLDSR 0.55
64 RWPRLDPR 0.56
65 DWPYLMHR 0.56
66 DWPYLIHR 0.56
67 FWEYMDPR 0.56
68 DWPYRDPL 0.57
69 RWEYMDPR 0.57
70 DWEFMDPR 0.57
71 DWEYLDHR 0.59
72 FWPYLDPL 0.59
73 DWPFLDPL 0.6
74 DWEYLMPR 0.6
75 DWEYLIPR 0.6
76 FWPYRDHR 0.6
77 RWPYLDPL 0.6
78 FWPYMDSR 0.61
79 DWPFRDHR 0.61
80 FWPRMDPR 0.62
81 DWPFMDSR 0.62
82 DWPYMMHR 0.62
83 DWPFRMPR 0.62
84 RWPYMDSR 0.62
85 FWPYRIPR 0.62
86 FWPYRMPR 0.62
87 RWPYRDHR 0.62
88 DWPFRIPR 0.63
89 RWPYRIPR 0.63
90 RWPYRMPR 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DWPRMDPR

2.1

-11.36

-9.26
2 DWPYMIPR

3.23

-12.04

-8.81
3 DWPRLDPR

2.32

-10.23

-7.91
4 DWPYMMPR

2.31

-9.65

-7.34
5 DWPYLIPR

2.04

-9.19

-7.15
6 DWPYLDPR

3.14

-10.06

-6.92
7 DWEYMDPR

2.12

-8.82

-6.7
8 DWPYMDHR

3.02

-9.62

-6.6
9 DWEYLDPR

2.82

-8.79

-5.97
10 RWPYLDPR

1.74

-7.63

-5.89
11 RWPYMDPR

2.11

-7.91

-5.8
12 FWPYRDPR

3.39

-9.07

-5.68
13 FWPYLDPR

3.09

-8.71

-5.62
14 DWPYLMPR

3.74

-9.29

-5.55
15 DWPYMDSR

2.21

-7.71

-5.5
16 DWPFMDPR

2.92

-8.42

-5.5
17 FWPYMDPR

2.16

-7.63

-5.47
18 DWPYLDSR

2.41

-7.78

-5.37
19 DWPFRDPR

2.07

-7.37

-5.3
20 DWPYMDPR

3.01

-8.09

-5.08
21 DWPFLDPR

2.07

-6.66

-4.59
22 DWPYRDHR

2.1

-6.61

-4.51
23 DWPYRDPR

2.09

-6.56

-4.47
24 FWPFMDPR

2.06

-6.28

-4.22
25 RWPFLDPR

2.06

-6.27

-4.21
26 DWPYLDHR

1.89

-5.79

-3.9
27 RWPYRDPR

2.1

-5.5

-3.4
28 FWPFLDPR

1.96

-5.11

-3.15
29 DWPYRMPR

3.11

-6.19

-3.08
30 DWPYLDPL

1.81

-4.56

-2.75

 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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