Predicted ligand sequences


ADAN-name: 1LKK2.PDB (view again the scoring matrix)

PDB name: [1LKK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT y E E I
position 1 2 3 4
poly-Ala
y
 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 1.493 ΔGbinding -12.430
TOTAL
 -10.937
Backbone Hb -2.660 Cis_bond 0.000
Sidechain Hb -9.130 Torsional clash 0.040
Van der Waals -9.530 Backbone clash 0.620
Electrostatics -6.420 Helix dipole -0.220
Solvation Polar 17.120 Water bridges -0.600
Solvation Hyd -10.510 Disulfide 0.000
VdW clashes 0.270 Electrost. Kon -3.390
Entropy sc 7.500 Part.cov.bonds 0.000
Entropy mc

5.100

 ΔGstability

27.260
       

Predicted ligand sequences for template [1LKK2.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).
 
  1LKK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yEsM 0.0
2 yEyM 0.19
3 yDsM 0.27
4 yEsL 0.29
5 yDyM 0.46
6 yEyL 0.48
7 yEDM 0.49
8 yDsL 0.55
9 yEsI 0.58
10 yEsP 0.6
11 yEsK 0.61
12 yIsM 0.7
13 yDDM 0.75
14 yDyL 0.75
15 yLsM 0.77
16 yEDL 0.77
17 yEyI 0.78
18 yEyP 0.8
19 yEyK 0.8
20 yDsI 0.85
21 yDsP 0.87
22 yDsK 0.88
23 yIyM 0.89
24 yLyM 0.96
25 yIsL 0.99
26 yVsM 1.0
27 yEEM 1.01
28 yDDL 1.04
29 yDyI 1.04
30 yDyP 1.06
31 yLsL 1.06
32 yDyK 1.07
33 yEDI 1.07
34 yEDP 1.09
35 yEDK 1.1
36 yIyL 1.18
37 yIDM 1.19
38 yVyM 1.19
39 yLyL 1.25
40 yLDM 1.26
41 yDEM 1.27
42 yIsI 1.28
43 yVsL 1.29
44 yEEL 1.3
45 yIsP 1.3
46 yIsK 1.31
47 yDDI 1.34
48 yDDP 1.35
49 yLsI 1.35
50 yDDK 1.36
51 yLsP 1.37
52 yLsK 1.38
53 yIDL 1.47
54 yIyI 1.48
55 yVyL 1.48
56 yVDM 1.48
57 yIyP 1.5
58 yIyK 1.5
59 yLDL 1.54
60 yLyI 1.55
61 yLyP 1.56
62 yDEL 1.56
63 yLyK 1.57
64 yVsI 1.58
65 yVsP 1.6
66 yEEI 1.6
67 yVsK 1.61
68 yEEP 1.61
69 yEEK 1.62
70 yIEM 1.71
71 yIDI 1.77
72 yVDL 1.77
73 yLEM 1.78
74 yVyI 1.78
75 yIDP 1.79
76 yVyP 1.79
77 yIDK 1.8
78 yVyK 1.8
79 yLDI 1.84
80 yLDP 1.86
81 yDEI 1.86
82 yLDK 1.87
83 yDEP 1.88
84 yDEK 1.88
85 yIEL 2.0
86 yVEM 2.01
87 yLEL 2.07
88 yVDI 2.07
89 yVDP 2.09
90 yVDK 2.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yEyM

1.19

-14.12

-12.93
2 yEsL

1.55

-14.19

-12.64
3 yDsL

1.39

-14.02

-12.63
4 yDsM

0.91

-13.51

-12.6
5 yEyP

1.48

-13.95

-12.47
6 yDyP

1.41

-13.85

-12.44
7 yEyL

1.66

-14.08

-12.42
8 yIyM

1.11

-13.52

-12.41
9 yDyL

1.38

-13.72

-12.34
10 yEsM

1.06

-13.35

-12.29
11 yEsI

1.15

-13.33

-12.18
12 yDyM

0.96

-13.08

-12.12
13 yEsP

1.45

-13.55

-12.1
14 yDsI

1.06

-12.99

-11.93
15 yIsM

1.08

-12.97

-11.89
16 yDsP

1.32

-13.2

-11.88
17 yIsL

1.54

-13.42

-11.88
18 yEyI

1.16

-13.03

-11.87
19 yEDL

1.45

-13.31

-11.86
20 yDyI

1.13

-12.99

-11.86
21 yEDM

1.08

-12.75

-11.67
22 yLsM

0.96

-12.56

-11.6
23 yEEM

1.07

-12.65

-11.58
24 yDDL

1.38

-12.8

-11.42
25 yEsK

1.75

-13.03

-11.28
26 yDDM

0.97

-12.21

-11.24
27 yVsM

1.2

-12.27

-11.07
28 yLyM

1.15

-11.9

-10.75
29 yEyK

1.53

-10.83

-9.3
30 yDsK

1.46

-10.32

-8.86

 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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