Predicted ligand sequences


ADAN-name: 1QZ72.PDB (view again the scoring matrix)

PDB name: [1QZ7.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E E N P E S I L D E H V Q R V M K
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 7.470 ΔGbinding -17.629
TOTAL
 -10.159
Backbone Hb -0.187 Cis_bond 0.000
Sidechain Hb -2.675 Torsional clash 0.476
Van der Waals -10.905 Backbone clash 0.630
Electrostatics -3.030 Helix dipole -0.101
Solvation Polar 10.077 Water bridges -0.201
Solvation Hyd -18.102 Disulfide 0.000
VdW clashes 3.211 Electrost. Kon -2.464
Entropy sc 5.867 Part.cov.bonds 0.000
Entropy mc

0.406

 ΔGstability

-19.121
       

Predicted ligand sequences for template [1QZ72.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).
 
  1QZ72.PDB  

(data)
# Predicted Sequences Value Calculate
1 syPNYEILyDWLDsFYD 0.0
2 DyPNYEILyDWLDsFYD 0.0
3 DyPRYEILyDWLDsFYD 0.01
4 syPRYEILyDWLDsFYD 0.01
5 syPNYEILDDWLDsFYD 0.04
6 DyPNYEILDDWLDsFYD 0.04
7 syPRYEILDDWLDsFYD 0.05
8 DyPRYEILDDWLDsFYD 0.05
9 syPNYDILyDWLDsFYD 0.06
10 DyPNYyILyDWLDsFYD 0.07
11 syPRYDILyDWLDsFYD 0.07
12 DyPRYDILyDWLDsFYD 0.07
13 DyPNYDILyDWLDsFYD 0.07
14 syPNYyILyDWLDsFYD 0.07
15 syPRYyILyDWLDsFYD 0.08
16 DyPRYyILyDWLDsFYD 0.08
17 syPNYEILyDWLDEFYD 0.08
18 DyPNYEILyDWLDEFYD 0.08
19 EyPNYEILyDWLDsFYD 0.08
20 EyPRYEILyDWLDsFYD 0.09
21 syPRYEILyDWLDEFYD 0.09
22 DyPRYEILyDWLDEFYD 0.09
23 DyPNYDILDDWLDsFYD 0.1
24 syPNYDILDDWLDsFYD 0.1
25 DyPNYEILysWLDsFYD 0.1
26 syPNYEILysWLDsFYD 0.1
27 syPRYEILysWLDsFYD 0.11
28 syPRYDILDDWLDsFYD 0.11
29 DyPRYDILDDWLDsFYD 0.11
30 DyPNYyILDDWLDsFYD 0.11
31 syPNYyILDDWLDsFYD 0.11
32 DyPRYEILysWLDsFYD 0.11
33 syPNYEILDDWLDEFYD 0.12
34 EyPNYEILDDWLDsFYD 0.12
35 DyPRYyILDDWLDsFYD 0.12
36 syPRYyILDDWLDsFYD 0.12
37 DyPNYEILDDWLDEFYD 0.12
38 DyPRYEILDDWLDEFYD 0.13
39 syPRYEILDDWLDEFYD 0.13
40 EyPRYEILDDWLDsFYD 0.13
41 DyPNYDILyDWLDEFYD 0.14
42 EyPNYDILyDWLDsFYD 0.14
43 syPNYDILyDWLDEFYD 0.14
44 DyPNYEILDsWLDsFYD 0.14
45 syPNYEILDsWLDsFYD 0.14
46 syPRYEILDsWLDsFYD 0.15
47 DyPRYEILDsWLDsFYD 0.15
48 EyPRYDILyDWLDsFYD 0.15
49 syPNYyILyDWLDEFYD 0.15
50 DyPRYDILyDWLDEFYD 0.15
51 DyPNYyILyDWLDEFYD 0.15
52 syPRYDILyDWLDEFYD 0.15
53 EyPNYyILyDWLDsFYD 0.15
54 EyPNYEILyDWLDEFYD 0.16
55 EyPRYyILyDWLDsFYD 0.16
56 syPNYDILysWLDsFYD 0.16
57 DyPRYyILyDWLDEFYD 0.16
58 syPRYyILyDWLDEFYD 0.16
59 DyPNYDILysWLDsFYD 0.17
60 EyPRYEILyDWLDEFYD 0.17
61 syPRYDILysWLDsFYD 0.17
62 syPNYyILysWLDsFYD 0.17
63 DyPNYyILysWLDsFYD 0.17
64 DyPNYEILypWLDsFYD 0.18
65 DyPNYDILDDWLDEFYD 0.18
66 syPNYEILysWLDEFYD 0.18
67 EyPNYEILysWLDsFYD 0.18
68 DyPRYyILysWLDsFYD 0.18
69 DyPRYDILysWLDsFYD 0.18
70 syPNYEILypWLDsFYD 0.18
71 EyPNYDILDDWLDsFYD 0.18
72 syPRYyILysWLDsFYD 0.18
73 DyPNYEILysWLDEFYD 0.18
74 syPNYDILDDWLDEFYD 0.18
75 EyPRYDILDDWLDsFYD 0.19
76 DyPNYyILDDWLDEFYD 0.19
77 syPNYyILDDWLDEFYD 0.19
78 syPRYEILysWLDEFYD 0.19
79 syPRYDILDDWLDEFYD 0.19
80 EyPNYyILDDWLDsFYD 0.19
81 DyPRYEILysWLDEFYD 0.19
82 DyPRYDILDDWLDEFYD 0.19
83 syPRYEILypWLDsFYD 0.19
84 DyPRYEILypWLDsFYD 0.19
85 EyPRYEILysWLDsFYD 0.19
86 syPNYDILDsWLDsFYD 0.2
87 EyPRYyILDDWLDsFYD 0.2
88 EyPNYEILDDWLDEFYD 0.2
89 DyPRYyILDDWLDEFYD 0.2
90 syPRYyILDDWLDEFYD 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DyPNYyILDDWLDsFYD

7.66

-27.32

-19.66
2 syPRYyILyDWLDsFYD

9.56

-28.94

-19.38
3 DyPRYDILDDWLDsFYD

7.9

-26.49

-18.59
4 syPRYDILDDWLDsFYD

8.1

-26.62

-18.52
5 DyPNYEILDDWLDsFYD

7.7

-25.91

-18.21
6 DyPRYEILDDWLDsFYD

9.68

-27.74

-18.06
7 syPNYDILDDWLDsFYD

9.13

-26.9

-17.77
8 syPRYDILyDWLDsFYD

8.54

-26.18

-17.64
9 syPRYEILyDWLDEFYD

9.36

-26.98

-17.62
10 syPRYEILDDWLDsFYD

9.56

-27.07

-17.51
11 syPNYEILDDWLDsFYD

9.12

-26.39

-17.27
12 DyPRYyILyDWLDsFYD

9.11

-25.73

-16.62
13 EyPNYEILyDWLDsFYD

7.85

-24.28

-16.43
14 DyPNYDILyDWLDsFYD

9.24

-25.53

-16.29
15 syPNYEILysWLDsFYD

8.7

-24.96

-16.26
16 DyPNYDILDDWLDsFYD

12.26

-28.0

-15.74
17 DyPRYEILyDWLDEFYD

7.7

-23.41

-15.71
18 syPNYyILyDWLDsFYD

7.96

-23.11

-15.15
19 DyPNYyILyDWLDsFYD

7.85

-22.47

-14.62
20 syPRYEILysWLDsFYD

9.88

-24.43

-14.55
21 DyPRYDILyDWLDsFYD

9.92

-24.4

-14.48
22 EyPRYEILyDWLDsFYD

9.54

-23.9

-14.36
23 syPNYEILyDWLDEFYD

7.77

-21.93

-14.16
24 DyPNYEILyDWLDsFYD

9.74

-23.9

-14.16
25 DyPNYEILyDWLDEFYD

8.47

-22.47

-14.0
26 DyPNYEILysWLDsFYD

9.14

-22.58

-13.44
27 syPRYEILyDWLDsFYD

8.3

-21.69

-13.39
28 DyPRYEILyDWLDsFYD

8.63

-20.8

-12.17
29 syPNYEILyDWLDsFYD

8.54

-20.21

-11.67
30 syPNYDILyDWLDsFYD

9.13

-20.31

-11.18

 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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