Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-7.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
 G
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 0.748 ΔGbinding -1.261
TOTAL
 -0.513
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.380
Van der Waals -3.096 Backbone clash 0.021
Electrostatics 0.333 Helix dipole 0.000
Solvation Polar 2.940 Water bridges -0.144
Solvation Hyd -4.535 Disulfide 0.000
VdW clashes 0.137 Electrost. Kon 0.362
Entropy sc 0.099 Part.cov.bonds 0.000
Entropy mc

2.263

 ΔGstability

45.419
       

Predicted ligand sequences for model [BUD14_1SEM-7.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).
 
  BUD14_1SEM-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPFFPWR 0.0
2 FRRFFPWR 0.0
3 FKPFFPWR 0.09
4 FKRFFPWR 0.1
5 FRDFFPWR 0.15
6 FLPFFPWR 0.21
7 FLRFFPWR 0.22
8 FKDFFPWR 0.24
9 FRPFFRWR 0.33
10 FRPFFPWN 0.33
11 FRRFFPWN 0.34
12 FRRFFRWR 0.34
13 FLDFFPWR 0.37
14 FRPFPPWR 0.37
15 FRPYFPWR 0.37
16 FRRYFPWR 0.38
17 FRRFPPWR 0.38
18 FRPIFPWR 0.41
19 FRRIFPWR 0.41
20 FKPFFRWR 0.42
21 FKRFFRWR 0.43
22 FKPFFPWN 0.43
23 FKRFFPWN 0.43
24 FKPFPPWR 0.46
25 FRRFFPFR 0.46
26 FRPFFPFR 0.46
27 FKPYFPWR 0.46
28 FKRYFPWR 0.47
29 FKRFPPWR 0.47
30 FRDFFRWR 0.48
31 FRPFFKWR 0.49
32 FRRFFKWR 0.49
33 FRDFFPWN 0.49
34 FKPIFPWR 0.5
35 FKRIFPWR 0.5
36 FRDYFPWR 0.53
37 FRDFPPWR 0.53
38 FLPFFRWR 0.55
39 FLPFFPWN 0.55
40 FKRFFPFR 0.55
41 FLRFFRWR 0.55
42 FLRFFPWN 0.55
43 FKPFFPFR 0.55
44 FRDIFPWR 0.56
45 FKDFFPWN 0.58
46 FKPFFKWR 0.58
47 FKRFFKWR 0.58
48 FKDFFRWR 0.58
49 FLPFPPWR 0.59
50 FLPYFPWR 0.59
51 FLRYFPWR 0.59
52 FLRFPPWR 0.59
53 FRDFFPFR 0.61
54 FLRIFPWR 0.62
55 FKDFPPWR 0.62
56 FKDYFPWR 0.62
57 FLPIFPWR 0.62
58 FRDFFKWR 0.64
59 FKDIFPWR 0.65
60 FRPFFRWN 0.67
61 FLRFFPFR 0.67
62 FLPFFPFR 0.67
63 FRRFFRWN 0.67
64 FLDFFPWN 0.7
65 FKDFFPFR 0.7
66 FLPFFKWR 0.7
67 FLDFFRWR 0.7
68 FRPYFRWR 0.71
69 FLRFFKWR 0.71
70 FRRYFPWN 0.71
71 FRPFPRWR 0.71
72 FRPYFPWN 0.71
73 FRRFPPWN 0.71
74 FRRFPRWR 0.71
75 FRRYFRWR 0.71
76 FRPFPPWN 0.71
77 FKDFFKWR 0.73
78 FLDYFPWR 0.74
79 FRPIFPWN 0.74
80 FRRIFRWR 0.74
81 FLDFPPWR 0.74
82 FRPIFRWR 0.74
83 FRRIFPWN 0.74
84 FRPYPPWR 0.75
85 FRRYPPWR 0.75
86 FKRFFRWN 0.76
87 FKPFFRWN 0.76
88 FLDIFPWR 0.77
89 FRRIPPWR 0.78
90 FRPIPPWR 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRRFFPFR

2.56

-10.19

-7.63
2 FRPFPPWR

3.33

-10.33

-7.0
3 FKRFFPWR

2.45

-9.43

-6.98
4 FRPFFPWR

3.62

-10.56

-6.94
5 FKRYFPWR

3.63

-10.56

-6.93
6 FRPFFPFR

3.11

-10.03

-6.92
7 FLDFFPWR

3.65

-10.48

-6.83
8 FKDFFPWR

3.63

-10.41

-6.78
9 FLRFFPWR

3.63

-10.36

-6.73
10 FKPFPPWR

3.23

-9.92

-6.69
11 FKRFPPWR

3.47

-10.15

-6.68
12 FRPYFPWR

3.49

-10.15

-6.66
13 FRRFPPWR

3.53

-10.19

-6.66
14 FRPIFPWR

3.39

-9.88

-6.49
15 FRRFFPWN

3.38

-9.78

-6.4
16 FRRYFPWR

3.59

-9.91

-6.32
17 FRPFFPWN

3.43

-9.69

-6.26
18 FRPFFRWR

3.07

-9.25

-6.18
19 FLPFFPWR

4.12

-10.25

-6.13
20 FKPYFPWR

3.4

-9.47

-6.07
21 FRRIFPWR

3.46

-9.24

-5.78
22 FKPFFRWR

3.74

-9.49

-5.75
23 FRRFFRWR

2.95

-8.56

-5.61
24 FKPFFPWR

4.41

-9.84

-5.43
25 FRRFFPWR

4.02

-9.45

-5.43
26 FKPFFPWN

2.86

-8.19

-5.33
27 FKRFFPWN

3.32

-8.63

-5.31
28 FRDFFPWR

4.31

-9.52

-5.21
29 FKRFFRWR

3.55

-8.51

-4.96
30 FRDFFRWR

4.37

-9.14

-4.77

 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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