Predicted ligand sequences


ADAN-name: 1LUJ2.PDB (view again the scoring matrix)

PDB name: [1LUJ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S I D Q A A E D V V M A F S R S E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
poly-Ala
A
 A
A
A
A
 A
A
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 6.466 ΔGbinding -19.480
TOTAL
 -13.014
Backbone Hb -7.163 Cis_bond 0.000
Sidechain Hb -11.937 Torsional clash 1.928
Van der Waals -19.881 Backbone clash 1.373
Electrostatics -15.023 Helix dipole 0.182
Solvation Polar 32.826 Water bridges -0.817
Solvation Hyd -21.985 Disulfide 0.000
VdW clashes 11.479 Electrost. Kon -6.908
Entropy sc 8.503 Part.cov.bonds 0.000
Entropy mc

9.315

 ΔGstability

-37.630
       

Predicted ligand sequences for template [1LUJ2.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).
 
  1LUJ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yyYSDFEEEVRRFyGDE 0.0
2 yyYSDFEEEVRRFyDDE 0.01
3 yyYSDFEEEVWRFyGDE 0.01
4 yyYSDFEEEVWRFyDDE 0.02
5 yyYSDFEEEKRRFyGDE 0.03
6 yyYSDFEEEVRRFyMDE 0.04
7 yyYSDFEEEKWRFyGDE 0.04
8 yyYSDFEEEKRRFyDDE 0.04
9 yyYSDFEEEKWRFyDDE 0.05
10 yyYSDFEEEVWRFyMDE 0.06
11 yyYSDFEEEKRRFyMDE 0.07
12 yyYSyFEEEVRRFyGDE 0.08
13 yyYSDFEEEKWRFyMDE 0.09
14 yyYSyFEEEVRRFyDDE 0.09
15 yyYSyFEEEVWRFyGDE 0.1
16 yyYSyFEEEVWRFyDDE 0.11
17 yyYSyFEEEKRRFyGDE 0.11
18 yyYSyFEEEKRRFyDDE 0.12
19 yyYSyFEEEKWRFyGDE 0.13
20 yyYSyFEEEVRRFyMDE 0.13
21 yyYSyFEEEVWRFyMDE 0.14
22 yyYSyFEEEKWRFyDDE 0.14
23 yEYSDFEEEVRRFyGDE 0.14
24 yEYSDFEEEVWRFyGDE 0.15
25 yyYSDFEEEVFRFyGDE 0.15
26 yEYSDFEEEVRRFyDDE 0.15
27 yEYSDFEEEVWRFyDDE 0.16
28 yyYSyFEEEKRRFyMDE 0.16
29 yyYSDFEEEVFRFyDDE 0.16
30 yEYSDFEEEKRRFyGDE 0.17
31 yyYSyFEEEKWRFyMDE 0.17
32 yEYSDFEEEKRRFyDDE 0.18
33 yEYSDFEEEVRRFyMDE 0.18
34 yyYSDFEEEKFRFyGDE 0.18
35 yEYSDFEEEKWRFyGDE 0.18
36 yyYSDFEEEVFRFyMDE 0.19
37 yyYSDFEEEKFRFyDDE 0.19
38 yEYSDFEEEKWRFyDDE 0.19
39 yEYSDFEEEVWRFyMDE 0.2
40 yDYSDFEEEVRRFyGDE 0.2
41 yEYSDFEEEKRRFyMDE 0.21
42 yDYSDFEEEVWRFyGDE 0.21
43 yDYSDFEEEVRRFyDDE 0.21
44 yyYSDFEEEKFRFyMDE 0.22
45 yEYSDFEEEKWRFyMDE 0.22
46 yEYSyFEEEVRRFyGDE 0.22
47 yDYSDFEEEVWRFyDDE 0.22
48 yEYSyFEEEVRRFyDDE 0.23
49 yyYSyFEEEVFRFyGDE 0.23
50 yEYSyFEEEVWRFyGDE 0.23
51 DyYSDFEEEVRRFyGDE 0.23
52 yDYSDFEEEKRRFyGDE 0.23
53 yDYSDFEEEKRRFyDDE 0.24
54 yDYSDFEEEKWRFyGDE 0.24
55 yyYSyFEEEVFRFyDDE 0.24
56 yDYSDFEEEVRRFyMDE 0.24
57 yEYSyFEEEVWRFyDDE 0.24
58 DyYSDFEEEVRRFyDDE 0.24
59 DyYSDFEEEVWRFyGDE 0.24
60 yEYSyFEEEKRRFyGDE 0.25
61 DyYSDFEEEVWRFyDDE 0.25
62 yDYSDFEEEKWRFyDDE 0.25
63 DyYSDFEEEKRRFyGDE 0.25
64 yyYSDFEEEVRRFyGEE 0.25
65 yEYSyFEEEKWRFyGDE 0.26
66 yEYSyFEEEKRRFyDDE 0.26
67 pyYSDFEEEVRRFyGDE 0.26
68 yDYSDFEEEVWRFyMDE 0.26
69 yyYSDFEEEVWRFyGEE 0.26
70 yyYSDFEEEVRRFyDEE 0.26
71 yyYSyFEEEKFRFyGDE 0.26
72 yyYSDFEEEWRRFyGDE 0.27
73 yDYSDFEEEKRRFyMDE 0.27
74 DyYSDFEEEKWRFyGDE 0.27
75 pyYSDFEEEVRRFyDDE 0.27
76 yEYSyFEEEKWRFyDDE 0.27
77 DyYSDFEEEKRRFyDDE 0.27
78 DyYSDFEEEVRRFyMDE 0.27
79 yyYSyFEEEVFRFyMDE 0.27
80 yEYSyFEEEVRRFyMDE 0.27
81 yyYSyFEEEKFRFyDDE 0.27
82 pyYSDFEEEVWRFyGDE 0.27
83 yDYSDFEEEKWRFyMDE 0.28
84 yyYSDFEEEWWRFyGDE 0.28
85 yEYSDFEEEVFRFyGDE 0.28
86 yEYSyFEEEVWRFyMDE 0.28
87 yyYSDFEEEKRRFyGEE 0.28
88 yyYSDFEEEVWRFyDEE 0.28
89 DyYSDFEEEKWRFyDDE 0.28
90 yyYSDFEEEWRRFyDDE 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yyYSyFEEEVWRFyGDE

6.15

-35.61

-29.46
2 yyYSyFEEEVRRFyMDE

7.35

-35.46

-28.11
3 yyYSDFEEEVFRFyGDE

6.38

-34.38

-28.0
4 yyYSDFEEEVWRFyMDE

6.41

-34.37

-27.96
5 yyYSDFEEEVRRFyMDE

6.23

-33.98

-27.75
6 yyYSyFEEEVRRFyDDE

6.09

-33.58

-27.49
7 yyYSDFEEEKRRFyDDE

6.17

-33.49

-27.32
8 yyYSyFEEEKWRFyGDE

8.98

-35.69

-26.71
9 yyYSDFEEEVWRFyGDE

7.19

-33.84

-26.65
10 yyYSDFEEEKRRFyGDE

6.74

-32.82

-26.08
11 yyYSDFEEEVWRFyDDE

6.44

-32.37

-25.93
12 yyYSyFEEEKRRFyGDE

6.3

-32.18

-25.88
13 yyYSDFEEEVFRFyDDE

6.94

-32.82

-25.88
14 yyYSyFEEEVRRFyGDE

6.31

-31.98

-25.67
15 yyYSDFEEEKRRFyMDE

6.01

-31.61

-25.6
16 yyYSyFEEEKRRFyMDE

5.53

-30.88

-25.35
17 yEYSDFEEEVRRFyGDE

6.01

-30.82

-24.81
18 yyYSyFEEEVWRFyDDE

6.74

-31.52

-24.78
19 yyYSDFEEEVRRFyDDE

6.53

-31.11

-24.58
20 yEYSDFEEEVWRFyDDE

7.04

-31.54

-24.5
21 yEYSDFEEEVRRFyDDE

6.09

-30.12

-24.03
22 yEYSDFEEEKRRFyGDE

6.29

-29.74

-23.45
23 yyYSDFEEEVRRFyGDE

5.83

-28.95

-23.12
24 yyYSyFEEEKRRFyDDE

6.84

-29.02

-22.18
25 yyYSyFEEEVWRFyMDE

9.51

-31.24

-21.73
26 yyYSDFEEEKWRFyGDE

7.72

-28.95

-21.23
27 yyYSDFEEEKWRFyMDE

7.09

-28.07

-20.98
28 yyYSDFEEEKWRFyDDE

7.03

-26.29

-19.26
29 yyYSyFEEEKWRFyDDE

10.67

-29.47

-18.8
30 yEYSDFEEEVWRFyGDE

7.43

-26.18

-18.75

 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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