Predicted ligand sequences


ADAN-name: 1LKL2.PDB (view again the scoring matrix)

PDB name: [1LKL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT y E E G
position 1 2 3 4
poly-Ala
y
 A
A
 G

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 1.504 ΔGbinding -7.050
TOTAL
 -5.546
Backbone Hb -2.710 Cis_bond 0.000
Sidechain Hb -6.250 Torsional clash 0.050
Van der Waals -7.910 Backbone clash 0.450
Electrostatics -5.540 Helix dipole -0.230
Solvation Polar 16.610 Water bridges -0.560
Solvation Hyd -7.820 Disulfide 0.000
VdW clashes 0.150 Electrost. Kon -2.880
Entropy sc 5.050 Part.cov.bonds 0.000
Entropy mc

4.980

 ΔGstability

33.360
       

Predicted ligand sequences for template [1LKL2.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).
 
  1LKL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yDyA 0.0
2 yDEA 0.24
3 yDMA 0.27
4 yDsA 0.27
5 yEyA 0.31
6 yDWA 0.32
7 yDyC 0.38
8 yDyG 0.48
9 yEEA 0.55
10 yEsA 0.58
11 yEMA 0.58
12 yEWA 0.62
13 yDEC 0.62
14 yDMC 0.66
15 yDsC 0.66
16 yEyC 0.69
17 yDWC 0.7
18 yDEG 0.72
19 yDMG 0.76
20 yDsG 0.76
21 yEyG 0.79
22 yDWG 0.8
23 yEEC 0.93
24 yEsC 0.96
25 yEMC 0.96
26 yLyA 0.99
27 yEWC 1.01
28 yEEG 1.03
29 yVyA 1.05
30 yEsG 1.06
31 yQyA 1.06
32 yEMG 1.06
33 yEWG 1.11
34 yLEA 1.23
35 yDyV 1.23
36 yLMA 1.26
37 yLsA 1.26
38 yVEA 1.29
39 yLWA 1.3
40 yQEA 1.3
41 yVsA 1.32
42 yVMA 1.32
43 yQsA 1.33
44 yQMA 1.33
45 yLyC 1.37
46 yVWA 1.37
47 yQWA 1.37
48 yVyC 1.43
49 yQyC 1.44
50 yLyG 1.47
51 yDEV 1.47
52 yDMV 1.5
53 yDsV 1.5
54 yVyG 1.53
55 yEyV 1.54
56 yQyG 1.54
57 yDWV 1.54
58 yLEC 1.61
59 yLMC 1.64
60 yLsC 1.64
61 yVEC 1.67
62 yQEC 1.68
63 yLWC 1.69
64 yQsC 1.71
65 yLEG 1.71
66 yVsC 1.71
67 yVMC 1.71
68 yQMC 1.71
69 yLMG 1.74
70 yLsG 1.74
71 yVWC 1.75
72 yQWC 1.75
73 yVEG 1.77
74 yEEV 1.78
75 yQEG 1.78
76 yLWG 1.79
77 yVsG 1.8
78 yVMG 1.8
79 yEsV 1.81
80 yQsG 1.81
81 yEMV 1.81
82 yQMG 1.81
83 yQWG 1.85
84 yEWV 1.85
85 yVWG 1.85
86 yLyV 2.22
87 yQyV 2.28
88 yVyV 2.28
89 yLEV 2.46
90 yLMV 2.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yEyA

1.53

-9.51

-7.98
2 yEMA

1.47

-9.22

-7.75
3 yEWC

1.68

-9.43

-7.75
4 yDsA

1.56

-9.3

-7.74
5 yEWA

1.61

-9.23

-7.62
6 yDyA

1.68

-9.29

-7.61
7 yEMC

1.62

-9.2

-7.58
8 yDWA

1.68

-9.25

-7.57
9 yEyC

1.55

-9.11

-7.56
10 yEsA

1.65

-9.17

-7.52
11 yEyG

1.55

-8.91

-7.36
12 yDsC

1.55

-8.81

-7.26
13 yEsC

1.57

-8.72

-7.15
14 yDEA

1.45

-8.53

-7.08
15 yDWC

1.51

-8.5

-6.99
16 yDMC

1.55

-8.53

-6.98
17 yLyA

1.66

-8.59

-6.93
18 yDMA

1.54

-8.4

-6.86
19 yEEA

1.44

-8.29

-6.85
20 yDWG

1.4

-8.08

-6.68
21 yDyC

1.59

-8.01

-6.42
22 yVyA

1.75

-8.12

-6.37
23 yDEC

1.41

-7.54

-6.13
24 yEEC

1.58

-7.63

-6.05
25 yEsG

1.49

-7.37

-5.88
26 yDEG

1.4

-7.25

-5.85
27 yEEG

1.46

-7.25

-5.79
28 yDyG

1.92

-7.42

-5.5
29 yDMG

1.45

-6.63

-5.18
30 yDsG

1.47

-6.42

-4.95

 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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