Predicted ligand sequences


ADAN-name: 1FU52.PDB (view again the scoring matrix)

PDB name: [1FU5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E E E y M P M E D L y L D I L
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
poly-Ala A A A
y
A
 A
A
A
A
 A
y
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 68.835 ΔGbinding 38.590
TOTAL
 107.425
Backbone Hb -1.260 Cis_bond 0.000
Sidechain Hb -4.730 Torsional clash 2.040
Van der Waals -31.160 Backbone clash 25.030
Electrostatics 0.220 Helix dipole 0.000
Solvation Polar 41.800 Water bridges -3.680
Solvation Hyd -38.510 Disulfide 0.000
VdW clashes 36.980 Electrost. Kon -0.480
Entropy sc 15.280 Part.cov.bonds 0.000
Entropy mc

22.090

 ΔGstability

298.400
       

Predicted ligand sequences for template [1FU52.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).
 
  1FU52.PDB  

(data)
# Predicted Sequences Value Calculate
1 PGKGsMGGGLTyGKK 0.0
2 PGKGsLGGGLTyGKK 0.03
3 PGKGsMGGGMTyGKK 0.05
4 PCKGsMGGGLTyGKK 0.05
5 PGKGsLGGGMTyGKK 0.08
6 PCKGsLGGGLTyGKK 0.08
7 PGKGsMGGGLTyGKN 0.09
8 PCKGsMGGGMTyGKK 0.1
9 PGKGsMGGGLTyGKQ 0.1
10 PGKGsLGGGLTyGKN 0.12
11 GGKGsMGGGLTyGKK 0.13
12 PGKGsLGGGLTyGKQ 0.13
13 PCKGsLGGGMTyGKK 0.13
14 PGKGsMGGGMTyGKN 0.14
15 PCKGsMGGGLTyGKN 0.14
16 PGKGsMGGGMTyGKQ 0.15
17 PCKGsMGGGLTyGKQ 0.15
18 PGKGsLGGGMTyGKN 0.17
19 GGKGsLGGGLTyGKK 0.17
20 PCKGsLGGGLTyGKN 0.17
21 PDKGsMGGGLTyGKK 0.17
22 PGKGsLGGGMTyGKQ 0.18
23 GGKGsMGGGMTyGKK 0.18
24 GCKGsMGGGLTyGKK 0.18
25 PCKGsLGGGLTyGKQ 0.18
26 PCKGsMGGGMTyGKN 0.19
27 PCKGsMGGGMTyGKQ 0.19
28 PDKGsLGGGLTyGKK 0.2
29 GGKGsLGGGMTyGKK 0.21
30 GCKGsLGGGLTyGKK 0.21
31 GGKGsMGGGLTyGKN 0.22
32 PGKGsMGGGLTyGGK 0.22
33 PDKGsMGGGMTyGKK 0.22
34 PCKGsLGGGMTyGKN 0.22
35 GGKGsMGGGLTyGKQ 0.23
36 GCKGsMGGGMTyGKK 0.23
37 PCKGsLGGGMTyGKQ 0.23
38 PGKGsLGGGLTyGGK 0.25
39 PDKGsLGGGMTyGKK 0.25
40 GGKGsLGGGLTyGKQ 0.26
41 GGKGsLGGGLTyGKN 0.26
42 GCKGsLGGGMTyGKK 0.26
43 PDKGsMGGGLTyGKN 0.26
44 GGKGsMGGGMTyGKN 0.27
45 GCKGsMGGGLTyGKN 0.27
46 PGKGsMGGGMTyGGK 0.27
47 PCKGsMGGGLTyGGK 0.27
48 PGKGsWGGGLTyGKK 0.27
49 PDKGsMGGGLTyGKQ 0.27
50 GGKGsMGGGMTyGKQ 0.28
51 GCKGsMGGGLTyGKQ 0.28
52 PDKGsLGGGLTyGKN 0.29
53 PGKGsMGGGLTyGLK 0.29
54 PDKGsLGGGLTyGKQ 0.3
55 GGKGsLGGGMTyGKN 0.3
56 PCKGsLGGGLTyGGK 0.3
57 PGKGsLGGGMTyGGK 0.3
58 GCKGsLGGGLTyGKN 0.3
59 PCKGsMGGGMTyGGK 0.31
60 GDKGsMGGGLTyGKK 0.31
61 GGKGsLGGGMTyGKQ 0.31
62 PGKGsMGGGLTyGGN 0.31
63 GCKGsLGGGLTyGKQ 0.31
64 PDKGsMGGGMTyGKN 0.31
65 GCKGsMGGGMTyGKN 0.32
66 PGKGsLGGGLTyGLK 0.32
67 PGKGsWGGGMTyGKK 0.32
68 PCKGsWGGGLTyGKK 0.32
69 PGKGsMGGGLTyGGQ 0.32
70 PDKGsMGGGMTyGKQ 0.32
71 GCKGsMGGGMTyGKQ 0.33
72 PGKGsLGGGLTyGGN 0.34
73 PGKGsMGGGMTyGLK 0.34
74 PDKGsLGGGMTyGKN 0.34
75 PCKGsMGGGLTyGLK 0.34
76 PCKGsLGGGMTyGGK 0.34
77 GDKGsLGGGLTyGKK 0.34
78 GGKGsMGGGLTyGGK 0.35
79 GDKGsMGGGMTyGKK 0.35
80 PGKGsLGGGLTyGGQ 0.35
81 GCKGsLGGGMTyGKN 0.35
82 PGKGsMGGGMTyGGN 0.35
83 PDKGsLGGGMTyGKQ 0.35
84 PCKGsMGGGLTyGGN 0.36
85 PCKGsMGGGLTyGGQ 0.36
86 GCKGsLGGGMTyGKQ 0.36
87 PGKGsMGGGMTyGGQ 0.36
88 PGKGsWGGGLTyGKN 0.36
89 PGKGsLGGGMTyGLK 0.37
90 PCKGsLGGGLTyGLK 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 PGKGsMGGGLTyGKN

32.45

9.12

41.57
2 PGKGsLGGGLTyGKQ

31.48

10.15

41.63
3 PGKGsLGGGLTyGKK

31.96

10.3

42.26
4 PGKGsLGGGMTyGKQ

32.93

9.71

42.64
5 PGKGsLGGGLTyGKN

32.56

10.11

42.67
6 PDKGsLGGGLTyGKK

32.69

10.19

42.88
7 GGKGsMGGGMTyGKK

32.94

10.02

42.96
8 PCKGsLGGGMTyGKK

33.48

9.49

42.97
9 GGKGsLGGGLTyGKK

32.03

11.09

43.12
10 PGKGsLGGGMTyGKN

32.92

10.51

43.43
11 GGKGsLGGGMTyGKK

32.63

11.28

43.91
12 PGKGsMGGGMTyGKN

33.72

10.39

44.11
13 PGKGsMGGGLTyGKQ

32.34

12.01

44.35
14 PCKGsMGGGLTyGKK

34.87

9.57

44.44
15 PGKGsMGGGMTyGKK

33.95

10.6

44.55
16 PGKGsLGGGMTyGKK

35.51

9.24

44.75
17 PCKGsLGGGLTyGKQ

33.74

11.11

44.85
18 PCKGsMGGGMTyGKN

33.8

11.39

45.19
19 PCKGsMGGGLTyGKQ

35.14

10.25

45.39
20 PGKGsMGGGLTyGKK

33.67

12.08

45.75
21 GCKGsMGGGLTyGKK

34.08

11.8

45.88
22 PGKGsMGGGMTyGKQ

33.77

12.2

45.97
23 PCKGsLGGGLTyGKN

35.09

11.52

46.61
24 PCKGsMGGGMTyGKQ

36.48

10.36

46.84
25 PCKGsMGGGLTyGKN

36.22

11.44

47.66
26 GCKGsLGGGLTyGKK

36.34

11.59

47.93
27 PDKGsMGGGLTyGKK

37.24

11.03

48.27
28 GGKGsMGGGLTyGKK

35.92

12.41

48.33
29 PCKGsMGGGMTyGKK

37.46

11.44

48.9
30 PCKGsLGGGLTyGKK

37.7

11.42

49.12

 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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