Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-5.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 10
poly-Ala A
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 2.453 ΔGbinding 3.926
TOTAL
 6.379
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 1.164
Van der Waals -4.861 Backbone clash 0.210
Electrostatics -0.045 Helix dipole 0.000
Solvation Polar 5.457 Water bridges -0.009
Solvation Hyd -7.334 Disulfide 0.000
VdW clashes 8.157 Electrost. Kon 0.009
Entropy sc 1.472 Part.cov.bonds 0.000
Entropy mc

2.967

 ΔGstability

54.569
       

Predicted ligand sequences for model [BUD14_1SEM-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPRNMRMHHW 0.0
2 WPNNMRMHHW 0.0
3 WPGNMRMHHW 0.07
4 WPNNFRMHHW 0.09
5 WPRNFRMHHW 0.09
6 WPRKMRMHHW 0.1
7 WPNKMRMHHW 0.1
8 WPRLMRMHHW 0.12
9 WPNLMRMHHW 0.12
10 RPNNMRMHHW 0.14
11 RPRNMRMHHW 0.14
12 WPGNFRMHHW 0.15
13 WPGKMRMHHW 0.17
14 WPNNWRMHHW 0.18
15 WPRNWRMHHW 0.18
16 WPRKFRMHHW 0.19
17 WPGLMRMHHW 0.19
18 WPNKFRMHHW 0.19
19 RPGNMRMHHW 0.21
20 WPNLFRMHHW 0.21
21 WPRLFRMHHW 0.21
22 RPNNFRMHHW 0.23
23 RPRNFRMHHW 0.23
24 RPRKMRMHHW 0.24
25 RPNKMRMHHW 0.24
26 QPRNMRMHHW 0.24
27 QPNNMRMHHW 0.24
28 WPGNWRMHHW 0.25
29 RPRLMRMHHW 0.26
30 WPGKFRMHHW 0.26
31 RPNLMRMHHW 0.26
32 WPNKWRMHHW 0.28
33 WPGLFRMHHW 0.28
34 WPRKWRMHHW 0.28
35 WPRNMRRHHW 0.29
36 WPNNMRRHHW 0.29
37 QPGNMRMHHW 0.3
38 RPGNFRMHHW 0.3
39 WPRLWRMHHW 0.3
40 WPNLWRMHHW 0.3
41 RPGKMRMHHW 0.31
42 RPRNWRMHHW 0.32
43 QPNNFRMHHW 0.32
44 QPRNFRMHHW 0.32
45 RPNNWRMHHW 0.32
46 RPRKFRMHHW 0.33
47 RPNKFRMHHW 0.33
48 RPGLMRMHHW 0.33
49 QPRKMRMHHW 0.34
50 QPNKMRMHHW 0.34
51 RPNLFRMHHW 0.35
52 RPRLFRMHHW 0.35
53 WPGKWRMHHW 0.35
54 QPRLMRMHHW 0.36
55 WPGNMRRHHW 0.36
56 QPNLMRMHHW 0.36
57 WPGLWRMHHW 0.37
58 WPNNFRRHHW 0.38
59 WPRNFRRHHW 0.38
60 QPGNFRMHHW 0.39
61 RPGNWRMHHW 0.39
62 WPRKMRRHHW 0.39
63 WPNKMRRHHW 0.39
64 WPRNMRIHHW 0.4
65 RPGKFRMHHW 0.4
66 WPNNMRIHHW 0.4
67 WPRLMRRHHW 0.41
68 WPNLMRRHHW 0.41
69 QPGKMRMHHW 0.41
70 QPNNWRMHHW 0.41
71 RPGLFRMHHW 0.42
72 RPNKWRMHHW 0.42
73 QPGLMRMHHW 0.42
74 QPRNWRMHHW 0.42
75 RPRKWRMHHW 0.42
76 QPRKFRMHHW 0.43
77 RPRNMRRHHW 0.43
78 WPRNMRMHRW 0.43
79 RPNNMRRHHW 0.43
80 QPNKFRMHHW 0.43
81 WPNNMRMHRW 0.43
82 QPNLFRMHHW 0.44
83 RPRLWRMHHW 0.44
84 WPGNFRRHHW 0.44
85 RPNLWRMHHW 0.44
86 QPRLFRMHHW 0.45
87 WPGKMRRHHW 0.46
88 WPRNMFMHHW 0.46
89 WPNNMFMHHW 0.46
90 WPNNWRRHHW 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WPNKMRMHHW

5.09

-9.66

-4.57
2 WPRLFRMHHW

5.57

-9.94

-4.37
3 WPRNMRMHHW

5.49

-9.29

-3.8
4 WPRLMRMHHW

5.94

-9.69

-3.75
5 WPRKFRMHHW

5.31

-8.97

-3.66
6 RPNNFRMHHW

5.52

-9.02

-3.5
7 WPNLFRMHHW

6.08

-9.19

-3.11
8 WPGNMRMHHW

5.89

-8.57

-2.68
9 WPGKFRMHHW

6.05

-8.22

-2.17
10 WPNNWRMHHW

5.73

-7.51

-1.78
11 WPNLMRMHHW

6.63

-7.42

-0.79
12 WPGKMRMHHW

6.36

-6.74

-0.38
13 RPGNMRMHHW

5.85

-6.17

-0.32
14 WPNKFRMHHW

5.85

-5.46

0.39
15 WPNNFRMHHW

5.25

-4.73

0.52
16 RPRKMRMHHW

6.11

-5.46

0.65
17 RPRNFRMHHW

5.98

-5.22

0.76
18 RPRLMRMHHW

6.74

-5.81

0.93
19 RPNKMRMHHW

6.06

-5.09

0.97
20 WPRKMRMHHW

5.81

-4.69

1.12
21 WPNNMRMHHW

6.14

-4.96

1.18
22 RPRNMRMHHW

7.01

-5.48

1.53
23 WPGNFRMHHW

5.34

-3.74

1.6
24 WPGNWRMHHW

5.71

-3.85

1.86
25 QPNNMRMHHW

5.65

-3.66

1.99
26 WPRNFRMHHW

6.76

-4.68

2.08
27 RPNNMRMHHW

5.57

-3.28

2.29
28 WPGLMRMHHW

6.08

-3.45

2.63
29 QPRNMRMHHW

5.23

-2.42

2.81
30 WPRNWRMHHW

5.11

-1.63

3.48

 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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