Predicted ligand sequences


ADAN-name: 1D4T2.PDB (view again the scoring matrix)

PDB name: [1D4T.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K S L T I Y A Q V Q K
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
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 1.179 ΔGbinding -17.170
TOTAL
 -15.991
Backbone Hb -9.130 Cis_bond 0.000
Sidechain Hb -4.030 Torsional clash 0.130
Van der Waals -17.100 Backbone clash 1.660
Electrostatics -1.810 Helix dipole 0.050
Solvation Polar 22.380 Water bridges -1.360
Solvation Hyd -21.370 Disulfide 0.000
VdW clashes 0.060 Electrost. Kon -0.660
Entropy sc 6.890 Part.cov.bonds 0.000
Entropy mc

8.780

 ΔGstability

121.430
       

Predicted ligand sequences for template [1D4T2.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).
 
  1D4T2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yyRLIMFMLyA 0.0
2 yyRLIMFMLys 0.0
3 yyRLIMFMLyG 0.08
4 yyRLMMFMLyA 0.09
5 yyRLMMFMLys 0.09
6 RyRLIMFMLys 0.1
7 RyRLIMFMLyA 0.1
8 EyRLIMFMLys 0.11
9 EyRLIMFMLyA 0.11
10 yyRLIMMMLyA 0.11
11 yyRLIMMMLys 0.11
12 yyRLIMYMLys 0.12
13 yyRLIMYMLyA 0.12
14 yyRLIMFLLys 0.13
15 yyRLIMFLLyA 0.13
16 yyRLIMFMLWA 0.14
17 yyRLIMFMLWs 0.14
18 yyRLIMFMVys 0.14
19 yyRLIMFMVyA 0.14
20 yyRLIMFMLMA 0.14
21 yyRLIMFMLMs 0.14
22 yyRLIWFMLys 0.16
23 yyRLIWFMLyA 0.16
24 yyRLIyFMLys 0.16
25 yyRLIyFMLyA 0.16
26 yyRLMMFMLyG 0.17
27 RyRLIMFMLyG 0.18
28 yWRLIMFMLys 0.18
29 yWRLIMFMLyA 0.18
30 RyRLMMFMLys 0.19
31 RyRLMMFMLyA 0.19
32 EyRLIMFMLyG 0.19
33 yyRLIMMMLyG 0.19
34 yyRLIMYMLyG 0.2
35 EyRLMMFMLys 0.2
36 EyRLMMFMLyA 0.2
37 yyRLMMMMLyA 0.2
38 yyRLMMMMLys 0.2
39 yyRLMMYMLys 0.21
40 RyRLIMMMLys 0.21
41 RyRLIMMMLyA 0.21
42 yyRLIMFLLyG 0.21
43 yyRLMMYMLyA 0.21
44 yyRLLMFMLys 0.22
45 yyRLIMFMLWG 0.22
46 yyRLIMFMVyG 0.22
47 EyRLIMMMLys 0.22
48 RyRLIMYMLyA 0.22
49 RyRLIMYMLys 0.22
50 yyRLIMFMLMG 0.22
51 EyRLIMMMLyA 0.22
52 yyRLLMFMLyA 0.22
53 RyRLIMFLLyA 0.23
54 RyRLIMFLLys 0.23
55 yyRLMMFLLys 0.23
56 yyRLMMFLLyA 0.23
57 EyRLIMYMLyA 0.23
58 EyRLIMYMLys 0.23
59 yyRLIWFMLyG 0.24
60 yyRLMMFMVys 0.24
61 yyRLMMFMVyA 0.24
62 EyRLIMFLLys 0.24
63 EyRLIMFLLyA 0.24
64 yyRLMMFMLMA 0.24
65 yyRLMMFMLMs 0.24
66 yyRLIyFMLyG 0.24
67 yyRLIMMLLys 0.24
68 yyRLIMMLLyA 0.24
69 yyRLMMFMLWA 0.24
70 yyRLMMFMLWs 0.24
71 yyRLMyFMLys 0.25
72 yyRLMyFMLyA 0.25
73 yyRLIMMMLMs 0.25
74 yyRLIMMMLMA 0.25
75 RyRLIMFMLMA 0.25
76 yyRLIMMMLWA 0.25
77 yyRLIMMMLWs 0.25
78 yyRLMWFMLys 0.25
79 yyRLMWFMLyA 0.25
80 yyRLIMMMVys 0.25
81 yyRLIMMMVyA 0.25
82 yyRLIMYLLyA 0.25
83 yyRLIMYLLys 0.25
84 RyRLIMFMLMs 0.25
85 RyRLIMFMLWs 0.25
86 RyRLIMFMLWA 0.25
87 RyRLIMFMVyA 0.25
88 RyRLIMFMVys 0.25
89 yyRLIMYMVyA 0.26
90 yyRLIMYMLMs 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yyRLMMFMLyG

1.29

-25.83

-24.54
2 yyRLIMFMLyG

2.26

-25.96

-23.7
3 RyRLIMFMLyG

1.2

-24.88

-23.68
4 EyRLIMFMLyA

1.67

-25.32

-23.65
5 yyRLMMFMLys

1.77

-25.35

-23.58
6 yyRLIMFMLys

1.48

-25.06

-23.58
7 EyRLIMFMLys

1.49

-24.85

-23.36
8 yyRLIMFMLWs

1.43

-24.31

-22.88
9 yyRLIMFMLMs

1.64

-24.51

-22.87
10 yyRLIMYMLyA

1.42

-24.24

-22.82
11 RyRLIMFMLys

1.54

-24.31

-22.77
12 RyRLMMFMLys

1.85

-24.53

-22.68
13 yyRLIMFMLWA

1.21

-23.87

-22.66
14 RyRLIMFMLyA

1.64

-24.08

-22.44
15 yyRLIMFMLyA

1.78

-24.19

-22.41
16 yyRLIMFMLMA

1.42

-23.8

-22.38
17 yyRLIMMMLys

1.54

-23.92

-22.38
18 yyRLIMFMVys

2.38

-24.68

-22.3
19 yWRLIMFMLys

2.38

-24.66

-22.28
20 yyRLIWFMLyA

2.19

-23.94

-21.75
21 yyRLIWFMLys

3.28

-25.01

-21.73
22 yyRLIMFLLyA

2.35

-23.72

-21.37
23 yyRLIMYMLys

2.25

-23.59

-21.34
24 yyRLIMMMLyA

1.8

-23.14

-21.34
25 yyRLIMFLLys

2.48

-23.71

-21.23
26 yWRLIMFMLyA

1.6

-22.82

-21.22
27 yyRLMMFMLyA

1.61

-22.56

-20.95
28 yyRLIyFMLyA

2.62

-23.53

-20.91
29 yyRLIyFMLys

2.67

-23.49

-20.82
30 yyRLIMFMVyA

1.81

-22.49

-20.68

 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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