Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-1.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 1.015 ΔGbinding -2.283
TOTAL
 -1.268
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.843
Van der Waals -3.650 Backbone clash 0.097
Electrostatics -0.074 Helix dipole 0.000
Solvation Polar 3.505 Water bridges 0.000
Solvation Hyd -5.714 Disulfide 0.000
VdW clashes 1.664 Electrost. Kon -0.076
Entropy sc 0.507 Part.cov.bonds 0.000
Entropy mc

1.988

 ΔGstability

46.303
       

Predicted ligand sequences for model [BUD14_1SEM-1.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-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRMWYMFRY 0.0
2 RPFMWYMFRY 0.01
3 RPRMWFMFRY 0.01
4 RPFMWFMFRY 0.01
5 RPSMWFMFRY 0.04
6 RPSMWYMFRY 0.04
7 RPRMMYMFRY 0.17
8 RPFMMYMFRY 0.17
9 RPRMMFMFRY 0.18
10 RPFMMFMFRY 0.18
11 RPSMMYMFRY 0.2
12 RPRMWYMFRR 0.2
13 RPFMWYMFRR 0.21
14 RPFMWLMFRY 0.21
15 RPRMWFMFRR 0.21
16 RPSMMFMFRY 0.21
17 RPRMWLMFRY 0.21
18 RPFMWFMFRR 0.22
19 RPRNWYMFRY 0.24
20 RPSMWYMFRR 0.24
21 RPSMWLMFRY 0.24
22 RPRMWYLFRY 0.25
23 RPFNWYMFRY 0.25
24 RPSMWFMFRR 0.25
25 RPRNWFMFRY 0.25
26 RPFNWFMFRY 0.26
27 RPRMWFLFRY 0.26
28 RPFMWYLFRY 0.26
29 RPRMWYMRRY 0.26
30 RPFMWYMRRY 0.27
31 RPRMWFMRRY 0.27
32 RPFMWFLFRY 0.27
33 RPRMWYMWRY 0.28
34 RPSNWYMFRY 0.28
35 RPFMWFMRRY 0.28
36 RPSNWFMFRY 0.29
37 RPSMWYLFRY 0.29
38 RPFMWFMWRY 0.29
39 RPFMWYMWRY 0.29
40 RPSMWFLFRY 0.29
41 RPRMWFMWRY 0.29
42 RPSMWYMRRY 0.3
43 RPSMWFMRRY 0.31
44 RPSMWFMWRY 0.32
45 RPSMWYMWRY 0.32
46 RPRMWYMFRW 0.35
47 RPFMWYMFRW 0.36
48 RPFMWFMFRW 0.36
49 RPRMWFMFRW 0.36
50 RPRMMYMFRR 0.37
51 RPRMMFMFRR 0.38
52 RPFMMYMFRR 0.38
53 RPFMMLMFRY 0.38
54 RPRMMLMFRY 0.38
55 RPSMWYMFRW 0.39
56 RPSMWFMFRW 0.39
57 RPFMMFMFRR 0.39
58 RPSMMLMFRY 0.41
59 RPRNMYMFRY 0.41
60 RPSMMYMFRR 0.41
61 RPRMWLMFRR 0.41
62 RPFNMYMFRY 0.42
63 RPRNMFMFRY 0.42
64 RPRMMYLFRY 0.42
65 RPFNMFMFRY 0.42
66 RPFMWLMFRR 0.42
67 RPSMMFMFRR 0.42
68 RPFMMFLFRY 0.43
69 RPRMMYMRRY 0.43
70 RPFMMYLFRY 0.43
71 RPRMMFLFRY 0.43
72 RPFMMYMRRY 0.44
73 RPRMMFMRRY 0.44
74 RPRNWYMFRR 0.45
75 RPFMMYMWRY 0.45
76 RPFNWYMFRR 0.45
77 RPRNWLMFRY 0.45
78 RPRNWFMFRR 0.45
79 RPSNMFMFRY 0.45
80 RPSNMYMFRY 0.45
81 RPRMMYMWRY 0.45
82 RPSMWLMFRR 0.45
83 RPFMMFMRRY 0.45
84 RPRMWYLFRR 0.46
85 RPSMMYLFRY 0.46
86 RPFNWFMFRR 0.46
87 RPRMWFLFRR 0.46
88 RPFNWLMFRY 0.46
89 RPFMWYLFRR 0.46
90 RPRMWLLFRY 0.46
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRMMFMFRY

5.39

-15.5

-10.11
2 RPFMWYMFRY

5.02

-14.38

-9.36
3 RPFMWLMFRY

5.1

-14.33

-9.23
4 RPRMWLMFRY

4.33

-13.32

-8.99
5 RPFMMFMFRY

5.0

-13.96

-8.96
6 RPSMWYMFRY

4.98

-13.15

-8.17
7 RPRMWYMFRY

5.52

-13.53

-8.01
8 RPFMWYMRRY

5.19

-12.84

-7.65
9 RPSMWLMFRY

4.94

-12.52

-7.58
10 RPSMMYMFRY

5.66

-13.2

-7.54
11 RPRMWYMFRR

5.1

-12.48

-7.38
12 RPRMWYMRRY

5.54

-12.89

-7.35
13 RPRMWFMFRR

5.47

-12.74

-7.27
14 RPRMWFLFRY

4.94

-12.16

-7.22
15 RPFNWFMFRY

5.01

-12.16

-7.15
16 RPFMWFMFRR

4.81

-11.91

-7.1
17 RPFMWYLFRY

5.01

-12.11

-7.1
18 RPSMWFMFRR

5.29

-12.3

-7.01
19 RPRMMYMFRY

5.89

-12.59

-6.7
20 RPSMMFMFRY

5.41

-11.97

-6.56
21 RPFMWYMFRR

6.06

-12.45

-6.39
22 RPRMWFMFRY

5.5

-11.7

-6.2
23 RPRMWYLFRY

5.06

-11.2

-6.14
24 RPRNWFMFRY

5.17

-11.2

-6.03
25 RPFNWYMFRY

5.69

-11.67

-5.98
26 RPRNWYMFRY

5.51

-11.39

-5.88
27 RPSMWYMFRR

5.9

-11.52

-5.62
28 RPFMWFMFRY

5.24

-10.73

-5.49
29 RPSMWFMFRY

6.51

-11.89

-5.38
30 RPFMMYMFRY

7.29

-12.62

-5.33

 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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