Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-20.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9
poly-Ala A
A
A
A
 A
G
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 0.962 ΔGbinding -2.947
TOTAL
 -1.985
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.028
Van der Waals -4.213 Backbone clash 0.175
Electrostatics 0.125 Helix dipole 0.000
Solvation Polar 4.121 Water bridges 0.022
Solvation Hyd -6.284 Disulfide 0.000
VdW clashes 0.373 Electrost. Kon 0.279
Entropy sc 0.472 Part.cov.bonds 0.000
Entropy mc

3.406

 ΔGstability

47.008
       

Predicted ligand sequences for model [BUD14_1SEM-20.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-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRFFFGMWF 0.0
2 MRFFFGMWF 0.01
3 FRPFFGMWF 0.03
4 MRPFFGMWF 0.04
5 FRFFIGMWF 0.05
6 MRFFIGMWF 0.06
7 FRYFFGMWF 0.07
8 FRPFIGMWF 0.07
9 MRPFIGMWF 0.08
10 MRYFFGMWF 0.08
11 RRFFFGMWF 0.1
12 FRFFFGMWY 0.11
13 MRFFFGMWY 0.11
14 FRYFIGMWF 0.12
15 FRPFFGMWY 0.13
16 MRYFIGMWF 0.13
17 RRPFFGMWF 0.13
18 MRPFFGMWY 0.14
19 RRFFIGMWF 0.15
20 FRFFIGMWY 0.15
21 MRFFIGMWY 0.16
22 RRYFFGMWF 0.18
23 FRYFFGMWY 0.18
24 FRPFIGMWY 0.18
25 RRPFIGMWF 0.18
26 MRPFIGMWY 0.19
27 MRYFFGMWY 0.19
28 RRFFFGMWY 0.21
29 RRYFIGMWF 0.22
30 RRPFFGMWY 0.23
31 FRYFIGMWY 0.23
32 MRYFIGMWY 0.24
33 FRFLFGMWF 0.25
34 RRFFIGMWY 0.26
35 FRFFWGMWF 0.26
36 MRFLFGMWF 0.26
37 MRFFWGMWF 0.27
38 FRPFWGMWF 0.28
39 RRYFFGMWY 0.28
40 FRPLFGMWF 0.28
41 RRPFIGMWY 0.28
42 MRPLFGMWF 0.29
43 MRPFWGMWF 0.29
44 FRFLIGMWF 0.3
45 MRFLIGMWF 0.31
46 FRPLIGMWF 0.32
47 RRYFIGMWY 0.33
48 MRPLIGMWF 0.33
49 MRYLFGMWF 0.33
50 FRYLFGMWF 0.33
51 FRYFWGMWF 0.33
52 MRYFWGMWF 0.34
53 RRFLFGMWF 0.35
54 FRFLFGMWY 0.36
55 FRFFWGMWY 0.36
56 MRFLFGMWY 0.36
57 RRFFWGMWF 0.36
58 FRYLIGMWF 0.37
59 MRFFWGMWY 0.37
60 RRPLFGMWF 0.38
61 FRPLFGMWY 0.38
62 MRYLIGMWF 0.38
63 MRPLFGMWY 0.39
64 RRPFWGMWF 0.39
65 FRPFWGMWY 0.39
66 MRPFWGMWY 0.4
67 FRFLIGMWY 0.4
68 RRFLIGMWF 0.4
69 MRFLIGMWY 0.41
70 RRYFWGMWF 0.43
71 RRPLIGMWF 0.43
72 FRYLFGMWY 0.43
73 FRPLIGMWY 0.43
74 RRYLFGMWF 0.43
75 MRYLFGMWY 0.44
76 MRPLIGMWY 0.44
77 FRYFWGMWY 0.44
78 MRYFWGMWY 0.45
79 RRFLFGMWY 0.46
80 RRFFWGMWY 0.46
81 FRFFFGMWW 0.47
82 RRYLIGMWF 0.47
83 RRPLFGMWY 0.48
84 MRFFFGMWW 0.48
85 FRYLIGMWY 0.48
86 RRPFWGMWY 0.49
87 MRYLIGMWY 0.49
88 FRPFFGMWW 0.5
89 FRFFFGMRF 0.5
90 MRPFFGMWW 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRPFFGMWF

1.92

-8.71

-6.79
2 MRYFFGMWY

2.19

-8.79

-6.6
3 MRPFIGMWY

2.37

-8.65

-6.28
4 RRFFFGMWF

2.27

-8.45

-6.18
5 RRYFFGMWF

2.27

-8.05

-5.78
6 RRFFIGMWF

2.22

-7.93

-5.71
7 RRPFFGMWF

2.34

-8.03

-5.69
8 RRPFFGMWY

2.2

-7.86

-5.66
9 MRFFIGMWF

2.37

-7.93

-5.56
10 RRYFIGMWF

2.66

-8.16

-5.5
11 FRFFFGMWY

3.0

-8.26

-5.26
12 RRFFFGMWY

2.37

-7.57

-5.2
13 MRYFIGMWF

2.73

-7.72

-4.99
14 RRPFIGMWF

2.48

-7.38

-4.9
15 MRYFFGMWF

2.71

-7.56

-4.85
16 FRPFFGMWY

2.73

-7.29

-4.56
17 MRPFIGMWF

3.22

-7.58

-4.36
18 FRFFFGMWF

2.97

-7.19

-4.22
19 FRYFFGMWF

3.25

-7.47

-4.22
20 FRPFIGMWF

3.3

-7.35

-4.05
21 FRFFIGMWY

4.31

-6.97

-2.66
22 FRYFIGMWF

4.3

-6.64

-2.34
23 FRYFFGMWY

4.19

-6.48

-2.29
24 MRPFFGMWY

4.23

-6.2

-1.97
25 MRFFFGMWF

4.84

-6.66

-1.82
26 MRFFIGMWY

4.62

-6.29

-1.67
27 FRFFIGMWF

4.48

-6.13

-1.65
28 MRFFFGMWY

4.32

-5.86

-1.54
29 FRPFFGMWF

5.11

-5.81

-0.7
30 FRPFIGMWY

5.47

-5.91

-0.44

 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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