Predicted ligand sequences


ADAN-name: 1SHD2.PDB (view again the scoring matrix)

PDB name: [1SHD.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 2.657 ΔGbinding -9.800
TOTAL
 -7.143
Backbone Hb -2.190 Cis_bond 0.000
Sidechain Hb -3.080 Torsional clash 0.300
Van der Waals -7.680 Backbone clash 0.670
Electrostatics -3.800 Helix dipole -0.250
Solvation Polar 11.620 Water bridges -1.250
Solvation Hyd -9.620 Disulfide 0.000
VdW clashes 0.070 Electrost. Kon -2.530
Entropy sc 5.400 Part.cov.bonds 0.000
Entropy mc

3.220

 ΔGstability

1.560
       

Predicted ligand sequences for template [1SHD2.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).
 
  1SHD2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yEsM 0.0
2 yMsM 0.27
3 yWsM 0.33
4 yssM 0.41
5 yLsM 0.47
6 yEyM 0.63
7 yEDM 0.89
8 yMyM 0.89
9 yWyM 0.95
10 ysyM 1.04
11 yLyM 1.09
12 yEEM 1.13
13 yMDM 1.16
14 yWDM 1.21
15 yEsD 1.21
16 yEYM 1.27
17 ysDM 1.3
18 yLDM 1.36
19 yMEM 1.39
20 yWEM 1.45
21 yMsD 1.47
22 yWsD 1.53
23 yMYM 1.53
24 ysEM 1.54
25 yLEM 1.59
26 yWYM 1.59
27 yssD 1.62
28 yLsD 1.67
29 ysYM 1.68
30 yEsL 1.72
31 yEsI 1.73
32 yLYM 1.73
33 yEyD 1.83
34 yMsL 1.99
35 yMsI 2.0
36 yWsL 2.04
37 yWsI 2.05
38 yEDD 2.09
39 yMyD 2.1
40 yssL 2.13
41 yssI 2.14
42 yWyD 2.16
43 yLsL 2.19
44 yLsI 2.2
45 ysyD 2.25
46 yLyD 2.3
47 yEED 2.33
48 yEyL 2.34
49 yEyI 2.35
50 yMDD 2.36
51 yWDD 2.42
52 yEYD 2.47
53 ysDD 2.51
54 yLDD 2.56
55 yMED 2.6
56 yEDL 2.6
57 yMyL 2.61
58 yEDI 2.62
59 yMyI 2.62
60 yWED 2.66
61 yWyL 2.67
62 yWyI 2.68
63 yMYD 2.74
64 ysED 2.75
65 ysyL 2.76
66 ysyI 2.77
67 yLED 2.8
68 yWYD 2.8
69 yLyL 2.81
70 yLyI 2.82
71 yEEL 2.84
72 yEEI 2.85
73 yMDL 2.87
74 yMDI 2.88
75 ysYD 2.89
76 yWDL 2.93
77 yWDI 2.94
78 yLYD 2.94
79 yEYL 2.98
80 yEYI 3.0
81 ysDL 3.02
82 ysDI 3.03
83 yLDL 3.07
84 yLDI 3.08
85 yMEL 3.11
86 yMEI 3.12
87 yWEL 3.17
88 yWEI 3.18
89 yMYL 3.25
90 ysEL 3.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yEsD

3.13

-12.42

-9.29
2 yEsM

2.86

-11.87

-9.01
3 ysyM

2.78

-11.54

-8.76
4 yssD

3.36

-11.86

-8.5
5 yWyM

2.38

-10.8

-8.42
6 yLyM

2.33

-10.6

-8.27
7 yWsM

2.45

-10.71

-8.26
8 yLsD

3.16

-11.42

-8.26
9 yEyM

2.4

-10.47

-8.07
10 yEEM

2.37

-10.42

-8.05
11 yEDM

2.4

-10.44

-8.04
12 yMyM

2.38

-10.41

-8.03
13 yMYM

2.34

-10.36

-8.02
14 yMsM

2.39

-10.34

-7.95
15 yLDM

2.37

-10.12

-7.75
16 yMsD

2.45

-10.18

-7.73
17 ysEM

2.45

-10.17

-7.72
18 yEYM

2.3

-9.93

-7.63
19 yWDM

2.39

-9.99

-7.6
20 yWEM

2.45

-10.04

-7.59
21 yssM

2.62

-10.2

-7.58
22 yMDM

2.38

-9.83

-7.45
23 yLEM

2.56

-9.95

-7.39
24 yWsD

3.03

-10.11

-7.08
25 yWYM

2.49

-9.53

-7.04
26 ysYM

2.63

-9.5

-6.87
27 yLsM

2.45

-9.27

-6.82
28 ysDM

2.57

-9.33

-6.76
29 yMEM

2.49

-8.77

-6.28
30 yEsL

4.87

-10.22

-5.35

 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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