Predicted ligand sequences


ADAN-name: 1X112.PDB (view again the scoring matrix)

PDB name: [1X11.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q N G Y E N P T Y K F F
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala A
A
G
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 6.679 ΔGbinding -19.621
TOTAL
 -12.942
Backbone Hb -7.013 Cis_bond 0.000
Sidechain Hb -2.712 Torsional clash 3.484
Van der Waals -18.453 Backbone clash 0.232
Electrostatics -5.131 Helix dipole -0.008
Solvation Polar 23.963 Water bridges -0.179
Solvation Hyd -23.251 Disulfide 0.000
VdW clashes 1.079 Electrost. Kon -2.686
Entropy sc 4.427 Part.cov.bonds 0.000
Entropy mc

6.858

 ΔGstability

31.076
       

Predicted ligand sequences for template [1X112.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).
 
  1X112.PDB  

(data)
# Predicted Sequences Value Calculate
1 MWGFENPyDDyD 0.0
2 RWGFENPyDDyD 0.08
3 LWGFENPyDDyD 0.09
4 MHGFENPyDDyD 0.15
5 MWGFENWyDDyD 0.21
6 RHGFENPyDDyD 0.22
7 LHGFENPyDDyD 0.23
8 MWGFENPyDSyD 0.24
9 MWGFENPyFDyD 0.26
10 RWGFENWyDDyD 0.29
11 LWGFENWyDDyD 0.3
12 RWGFENPyDSyD 0.31
13 LWGFENPyDSyD 0.32
14 RWGFENPyFDyD 0.33
15 LWGFENPyFDyD 0.34
16 MWGFENPyDEyD 0.35
17 MHGFENWyDDyD 0.36
18 MHGFENPyDSyD 0.39
19 MHGFENPyFDyD 0.41
20 RWGFENPyDEyD 0.42
21 RHGFENWyDDyD 0.43
22 MWGFENPRDDyD 0.43
23 MWGWENPyDDyD 0.43
24 LWGFENPyDEyD 0.43
25 LHGFENWyDDyD 0.44
26 MWGFENPyDDCD 0.45
27 MWGFENWyDSyD 0.45
28 RHGFENPyDSyD 0.46
29 LHGFENPyDSyD 0.47
30 MWGFENWyFDyD 0.47
31 RHGFENPyFDyD 0.48
32 LHGFENPyFDyD 0.49
33 MWGFENPyFSyD 0.49
34 MHGFENPyDEyD 0.5
35 RWGFENPRDDyD 0.5
36 RWGWENPyDDyD 0.51
37 LWGFENPRDDyD 0.51
38 RWGFENWyDSyD 0.52
39 LWGWENPyDDyD 0.52
40 LWGFENWyDSyD 0.53
41 RWGFENPyDDCD 0.53
42 LWGFENPyDDCD 0.54
43 RWGFENWyFDyD 0.54
44 LWGFENWyFDyD 0.55
45 MWGFENWyDEyD 0.56
46 RWGFENPyFSyD 0.57
47 RHGFENPyDEyD 0.57
48 MHGFENPRDDyD 0.57
49 LHGFENPyDEyD 0.58
50 MHGWENPyDDyD 0.58
51 LWGFENPyFSyD 0.58
52 MHGFENWyDSyD 0.59
53 MWGFENPyFEyD 0.6
54 MHGFENPyDDCD 0.6
55 MHGFENWyFDyD 0.61
56 MWGFENWRDDyD 0.64
57 RWGFENWyDEyD 0.64
58 MWGWENWyDDyD 0.64
59 LWGFENWyDEyD 0.64
60 MHGFENPyFSyD 0.64
61 RHGFENPRDDyD 0.65
62 RHGWENPyDDyD 0.65
63 MWGFENWyDDCD 0.66
64 LHGWENPyDDyD 0.66
65 MWGFENPRDSyD 0.66
66 LHGFENPRDDyD 0.66
67 MWGWENPyDSyD 0.67
68 RHGFENWyDSyD 0.67
69 RWGFENPyFEyD 0.68
70 RHGFENPyDDCD 0.68
71 LHGFENPyDDCD 0.68
72 MWGFENPRFDyD 0.68
73 LHGFENWyDSyD 0.68
74 MWGFENPyDSCD 0.69
75 LWGFENPyFEyD 0.69
76 RHGFENWyFDyD 0.69
77 MWGWENPyFDyD 0.69
78 MWGFENWyFSyD 0.7
79 LHGFENWyFDyD 0.7
80 RWGFENWRDDyD 0.71
81 MHGFENWyDEyD 0.71
82 MWGFENPyFDCD 0.71
83 LWGWENWyDDyD 0.72
84 RHGFENPyFSyD 0.72
85 LWGFENWRDDyD 0.72
86 RWGWENWyDDyD 0.72
87 LHGFENPyFSyD 0.73
88 RWGFENWyDDCD 0.74
89 RWGFENPRDSyD 0.74
90 RWGWENPyDSyD 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RHGFENWyDDyD

6.05

-30.33

-24.28
2 LHGFENWyDDyD

5.89

-28.1

-22.21
3 MHGFENPyFDyD

5.16

-27.26

-22.1
4 MHGFENPyDSyD

5.32

-27.32

-22.0
5 LHGFENPyDDyD

5.28

-27.22

-21.94
6 LHGFENPyDSyD

5.4

-27.31

-21.91
7 RHGFENPyDSyD

5.06

-26.2

-21.14
8 RWGFENWyDDyD

5.69

-26.25

-20.56
9 LWGFENPyFDyD

5.85

-25.93

-20.08
10 MHGFENWyDDyD

7.04

-26.85

-19.81
11 LWGFENWyDDyD

5.36

-25.16

-19.8
12 MHGFENPyDDyD

7.01

-26.45

-19.44
13 MWGFENWyDSyD

5.68

-24.72

-19.04
14 RHGFENPyDDyD

7.27

-26.28

-19.01
15 RWGFENPyDDyD

5.01

-23.62

-18.61
16 LWGFENPyDDyD

4.85

-23.46

-18.61
17 MWGFENWyFDyD

6.91

-25.07

-18.16
18 MWGFENPyDSyD

5.64

-23.75

-18.11
19 LWGFENPyDEyD

5.14

-22.59

-17.45
20 MWGFENWyDDyD

8.12

-25.47

-17.35
21 MWGFENPyFDyD

6.83

-24.16

-17.33
22 MWGFENPyDDyD

6.48

-23.47

-16.99
23 MWGFENPyDEyD

6.95

-23.91

-16.96
24 RWGFENPyDEyD

5.22

-21.42

-16.2
25 RWGFENPyFDyD

6.11

-22.04

-15.93
26 MWGFENPyDDCD

4.96

-20.85

-15.89
27 RWGFENPyDSyD

4.86

-20.75

-15.89
28 LWGFENPyDSyD

6.98

-21.1

-14.12
29 MWGWENPyDDyD

5.68

-18.76

-13.08
30 MWGFENPRDDyD

6.55

-10.86

-4.31

 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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