Predicted ligand sequences


ADAN-name: 1ELW2.PDB (view again the scoring matrix)

PDB name: [1ELW.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G P T I E E V D
position 1 2 3 4 5 6 7 8
poly-Ala
G
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 2.679 ΔGbinding -15.828
TOTAL
 -13.149
Backbone Hb -2.562 Cis_bond 0.000
Sidechain Hb -4.675 Torsional clash 0.205
Van der Waals -8.129 Backbone clash 0.066
Electrostatics -6.472 Helix dipole -0.052
Solvation Polar 13.450 Water bridges -0.333
Solvation Hyd -11.308 Disulfide 0.000
VdW clashes 0.465 Electrost. Kon -3.795
Entropy sc 4.959 Part.cov.bonds 0.000
Entropy mc

2.420

 ΔGstability

-40.977
       

Predicted ligand sequences for template [1ELW2.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).
 
  1ELW2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPWIDDFE 0.0
2 KPWIDDFE 0.07
3 WPWIDDFE 0.09
4 MPWIDDFE 0.1
5 YPWIDDFE 0.15
6 FPWRDDFE 0.49
7 FPWIDDWE 0.51
8 FPWIDDME 0.55
9 FPRIDDFE 0.56
10 KPWRDDFE 0.56
11 WPWRDDFE 0.58
12 KPWIDDWE 0.59
13 MPWRDDFE 0.59
14 FPWIDDYE 0.59
15 WPWIDDWE 0.6
16 MPWIDDWE 0.61
17 KPWIDDME 0.62
18 YPWRDDFE 0.63
19 KPRIDDFE 0.64
20 WPWIDDME 0.64
21 WPRIDDFE 0.65
22 MPWIDDME 0.65
23 YPWIDDWE 0.66
24 KPWIDDYE 0.66
25 MPRIDDFE 0.66
26 WPWIDDYE 0.67
27 YPWIDDME 0.69
28 MPWIDDYE 0.69
29 YPRIDDFE 0.71
30 YPWIDDYE 0.73
31 FPWMDDFE 0.8
32 KPWMDDFE 0.87
33 WPWMDDFE 0.89
34 MPWMDDFE 0.9
35 YPWMDDFE 0.95
36 FPWRDDWE 1.0
37 FPWRDDME 1.03
38 FPRRDDFE 1.05
39 FPWRDDYE 1.07
40 KPWRDDWE 1.07
41 FPRIDDWE 1.07
42 WPWRDDWE 1.09
43 MPWRDDWE 1.1
44 FPRIDDME 1.11
45 KPWRDDME 1.11
46 KPRRDDFE 1.12
47 WPWRDDME 1.12
48 MPWRDDME 1.13
49 WPRRDDFE 1.14
50 KPWRDDYE 1.15
51 FPRIDDYE 1.15
52 MPRRDDFE 1.15
53 KPRIDDWE 1.15
54 YPWRDDWE 1.15
55 WPWRDDYE 1.16
56 WPRIDDWE 1.16
57 MPRIDDWE 1.17
58 MPWRDDYE 1.17
59 YPWRDDME 1.18
60 KPRIDDME 1.18
61 WPRIDDME 1.2
62 YPRRDDFE 1.2
63 MPRIDDME 1.21
64 KPRIDDYE 1.22
65 YPWRDDYE 1.22
66 YPRIDDWE 1.22
67 WPRIDDYE 1.24
68 MPRIDDYE 1.25
69 YPRIDDME 1.26
70 YPRIDDYE 1.29
71 FPWMDDWE 1.31
72 FPWMDDME 1.35
73 FPRMDDFE 1.36
74 KPWMDDWE 1.39
75 FPWMDDYE 1.39
76 WPWMDDWE 1.4
77 MPWMDDWE 1.41
78 KPWMDDME 1.42
79 WPWMDDME 1.44
80 KPRMDDFE 1.44
81 MPWMDDME 1.45
82 WPRMDDFE 1.45
83 KPWMDDYE 1.46
84 YPWMDDWE 1.46
85 MPRMDDFE 1.46
86 WPWMDDYE 1.48
87 YPWMDDME 1.49
88 MPWMDDYE 1.49
89 YPRMDDFE 1.51
90 YPWMDDYE 1.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPRIDDFE

2.99

-18.49

-15.5
2 KPWIDDFE

2.61

-17.83

-15.22
3 KPRIDDFE

2.59

-17.68

-15.09
4 FPWIDDFE

3.08

-17.92

-14.84
5 KPWIDDYE

1.83

-16.51

-14.68
6 KPWRDDFE

2.92

-17.27

-14.35
7 YPRIDDFE

2.48

-16.64

-14.16
8 YPWRDDFE

3.2

-17.23

-14.03
9 WPWRDDFE

2.69

-16.52

-13.83
10 WPRIDDFE

3.21

-16.73

-13.52
11 WPWIDDWE

2.94

-16.32

-13.38
12 MPRIDDFE

2.85

-16.02

-13.17
13 MPWRDDFE

3.05

-16.18

-13.13
14 MPWIDDYE

2.59

-15.62

-13.03
15 MPWIDDWE

2.33

-14.99

-12.66
16 YPWIDDWE

2.56

-15.21

-12.65
17 FPWIDDYE

2.64

-15.25

-12.61
18 KPWIDDWE

2.32

-14.91

-12.59
19 YPWIDDYE

2.66

-14.92

-12.26
20 WPWIDDFE

3.19

-15.38

-12.19
21 MPWIDDFE

2.44

-14.49

-12.05
22 FPWIDDWE

2.29

-14.32

-12.03
23 FPWIDDME

2.75

-14.66

-11.91
24 WPWIDDME

2.66

-14.32

-11.66
25 YPWIDDFE

2.73

-14.35

-11.62
26 YPWIDDME

2.73

-14.22

-11.49
27 MPWIDDME

2.16

-13.44

-11.28
28 FPWRDDFE

3.06

-14.17

-11.11
29 WPWIDDYE

2.98

-13.97

-10.99
30 KPWIDDME

2.84

-13.54

-10.7

 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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