Predicted ligand sequences


ADAN-name: 1BE92.PDB (view again the scoring matrix)

PDB name: [1BE9.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K Q T S V
position 1 2 3 4 5
poly-Ala
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 2.639 ΔGbinding -11.260
TOTAL
 -8.621
Backbone Hb -9.100 Cis_bond 0.000
Sidechain Hb -5.710 Torsional clash 0.030
Van der Waals -8.440 Backbone clash 2.080
Electrostatics -1.510 Helix dipole -0.030
Solvation Polar 15.960 Water bridges -0.860
Solvation Hyd -10.420 Disulfide 0.000
VdW clashes 0.370 Electrost. Kon -1.240
Entropy sc 6.200 Part.cov.bonds 0.000
Entropy mc

3.500

 ΔGstability

11.340
       

Predicted ligand sequences for template [1BE92.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).
 
  1BE92.PDB  

(data)
# Predicted Sequences Value Calculate
1 PLTFV 0.0
2 PLTMV 0.03
3 PNTFV 0.12
4 PNTMV 0.14
5 PLTHV 0.18
6 PLTWV 0.25
7 PNTHV 0.3
8 PLTYV 0.3
9 PNTWV 0.36
10 PITFV 0.38
11 PITMV 0.41
12 KLTFV 0.41
13 PNTYV 0.42
14 PLMFV 0.43
15 KLTMV 0.44
16 PLMMV 0.46
17 PLNFV 0.47
18 PLNMV 0.5
19 KNTFV 0.53
20 PNMFV 0.55
21 KNTMV 0.56
22 PITHV 0.56
23 PNMMV 0.57
24 PNNFV 0.59
25 KLTHV 0.59
26 PLMHV 0.61
27 PNNMV 0.61
28 PITWV 0.63
29 PLNHV 0.65
30 KLTWV 0.66
31 PITYV 0.68
32 PLMWV 0.68
33 KLTYV 0.71
34 KNTHV 0.71
35 PLNWV 0.72
36 PLMYV 0.73
37 PNMHV 0.73
38 PNNHV 0.77
39 PLNYV 0.77
40 KNTWV 0.78
41 KITFV 0.79
42 PNMWV 0.8
43 PIMFV 0.81
44 KITMV 0.82
45 KNTYV 0.83
46 PNNWV 0.84
47 KLMFV 0.84
48 PIMMV 0.84
49 PNMYV 0.85
50 PINFV 0.85
51 KLMMV 0.87
52 PINMV 0.88
53 KLNFV 0.88
54 PNNYV 0.89
55 KLNMV 0.91
56 KNMFV 0.96
57 KITHV 0.97
58 KNMMV 0.99
59 PIMHV 0.99
60 KNNFV 1.0
61 KLMHV 1.02
62 KNNMV 1.03
63 PINHV 1.03
64 KITWV 1.04
65 KLNHV 1.06
66 PIMWV 1.06
67 KLMWV 1.09
68 KITYV 1.09
69 PINWV 1.1
70 PIMYV 1.11
71 KLNWV 1.13
72 KLMYV 1.14
73 KNMHV 1.14
74 PINYV 1.15
75 KLNYV 1.18
76 KNNHV 1.18
77 KNMWV 1.21
78 KIMFV 1.22
79 KIMMV 1.25
80 KNNWV 1.25
81 KNMYV 1.26
82 KINFV 1.26
83 KINMV 1.29
84 KNNYV 1.3
85 KIMHV 1.4
86 KINHV 1.44
87 KIMWV 1.47
88 KINWV 1.51
89 KIMYV 1.52
90 KINYV 1.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KLTFV

2.56

-14.61

-12.05
2 KLTWV

2.5

-14.5

-12.0
3 PNNFV

2.62

-14.6

-11.98
4 PLMFV

2.47

-14.42

-11.95
5 PITWV

2.58

-14.46

-11.88
6 PITFV

2.64

-14.41

-11.77
7 PLNFV

2.55

-14.21

-11.66
8 KLTMV

2.46

-14.12

-11.66
9 PNTHV

2.29

-13.9

-11.61
10 PLMMV

2.66

-14.17

-11.51
11 PNMMV

2.52

-13.92

-11.4
12 KLTHV

2.36

-13.73

-11.37
13 PNTMV

2.56

-13.93

-11.37
14 PNMFV

2.69

-14.05

-11.36
15 PLMHV

2.4

-13.74

-11.34
16 PLTMV

2.35

-13.47

-11.12
17 PLNHV

2.47

-13.53

-11.06
18 PITHV

2.5

-13.41

-10.91
19 PLTHV

2.35

-13.26

-10.91
20 PLNMV

2.52

-13.39

-10.87
21 PNTFV

2.5

-13.35

-10.85
22 PNTWV

3.03

-13.46

-10.43
23 PNTYV

2.93

-13.25

-10.32
24 PITMV

2.63

-12.86

-10.23
25 PLTWV

2.7

-12.91

-10.21
26 KNTFV

2.7

-12.9

-10.2
27 PLTFV

2.69

-12.87

-10.18
28 PNNMV

2.73

-12.89

-10.16
29 PLTYV

2.87

-12.85

-9.98
30 KNTMV

2.73

-12.11

-9.38

 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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