Predicted ligand sequences


ADAN-name: 1NZL2.PDB (view again the scoring matrix)

PDB name: [1NZL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P Q y E y I P A
position 1 2 3 4 5 6 7 8
poly-Ala A
A
y
 A
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 3.177 ΔGbinding -14.670
TOTAL
 -11.493
Backbone Hb -3.370 Cis_bond 0.000
Sidechain Hb -7.070 Torsional clash 0.090
Van der Waals -10.340 Backbone clash 0.960
Electrostatics -6.260 Helix dipole -0.260
Solvation Polar 17.340 Water bridges -2.120
Solvation Hyd -11.290 Disulfide 0.000
VdW clashes 2.000 Electrost. Kon -3.820
Entropy sc 6.980 Part.cov.bonds 0.000
Entropy mc

3.450

 ΔGstability

32.610
       

Predicted ligand sequences for template [1NZL2.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).
 
  1NZL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PyyEyMGG 0.0
2 PyyDyMGG 0.15
3 syyEyMGG 0.28
4 DyyEyMGG 0.38
5 PyyEyMPG 0.41
6 syyDyMGG 0.43
7 PyyMyMGG 0.52
8 DyyDyMGG 0.53
9 PyyEyMVG 0.55
10 PyyDyMPG 0.56
11 PyyEyMIG 0.58
12 PyyIyMGG 0.59
13 PyyEyMDG 0.61
14 EyyEyMGG 0.62
15 FyyEyMGG 0.64
16 syyEyMPG 0.7
17 PyyDyMVG 0.7
18 PyyDyMIG 0.73
19 PyyDyMDG 0.76
20 EyyDyMGG 0.77
21 FyyDyMGG 0.79
22 DyyEyMPG 0.79
23 syyMyMGG 0.8
24 syyEyMVG 0.83
25 syyDyMPG 0.85
26 syyEyMIG 0.86
27 syyIyMGG 0.87
28 DyyMyMGG 0.9
29 syyEyMDG 0.9
30 DyyEyMVG 0.92
31 PyyMyMPG 0.93
32 DyyDyMPG 0.94
33 DyyEyMIG 0.96
34 DyyIyMGG 0.96
35 syyDyMVG 0.98
36 DyyEyMDG 0.99
37 PyyIyMPG 1.0
38 syyDyMIG 1.01
39 EyyEyMPG 1.03
40 syyDyMDG 1.05
41 FyyEyMPG 1.05
42 PyyMyMVG 1.06
43 DyyDyMVG 1.07
44 PyyMyMIG 1.1
45 DyyDyMIG 1.11
46 PyyMyMDG 1.13
47 PyyIyMVG 1.13
48 DyyDyMDG 1.14
49 EyyMyMGG 1.14
50 EyyEyMVG 1.16
51 FyyMyMGG 1.16
52 PyyIyMIG 1.17
53 EyyDyMPG 1.18
54 FyyEyMVG 1.19
55 EyyEyMIG 1.2
56 PyyIyMDG 1.2
57 EyyIyMGG 1.2
58 FyyDyMPG 1.21
59 FyyEyMIG 1.22
60 syyMyMPG 1.22
61 EyyEyMDG 1.23
62 FyyIyMGG 1.23
63 FyyEyMDG 1.25
64 syyIyMPG 1.29
65 EyyDyMVG 1.31
66 DyyMyMPG 1.31
67 FyyDyMVG 1.34
68 EyyDyMIG 1.35
69 syyMyMVG 1.35
70 FyyDyMIG 1.37
71 EyyDyMDG 1.38
72 syyMyMIG 1.38
73 DyyIyMPG 1.38
74 FyyDyMDG 1.4
75 syyMyMDG 1.42
76 syyIyMVG 1.42
77 DyyMyMVG 1.44
78 syyIyMIG 1.45
79 syyIyMDG 1.48
80 DyyMyMIG 1.48
81 DyyMyMDG 1.51
82 DyyIyMVG 1.51
83 DyyIyMIG 1.54
84 EyyMyMPG 1.55
85 FyyMyMPG 1.57
86 DyyIyMDG 1.58
87 EyyIyMPG 1.62
88 FyyIyMPG 1.64
89 EyyMyMVG 1.68
90 FyyMyMVG 1.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 syyDyMPG

2.77

-18.64

-15.87
2 syyEyMPG

2.85

-17.92

-15.07
3 syyMyMGG

2.73

-17.47

-14.74
4 syyEyMGG

2.84

-16.43

-13.59
5 syyEyMIG

3.91

-17.16

-13.25
6 DyyMyMGG

2.76

-15.92

-13.16
7 EyyDyMGG

3.84

-16.92

-13.08
8 DyyEyMPG

2.79

-15.86

-13.07
9 syyIyMGG

3.58

-16.45

-12.87
10 DyyEyMGG

3.87

-16.73

-12.86
11 syyEyMDG

3.98

-16.63

-12.65
12 syyDyMGG

3.26

-15.85

-12.59
13 DyyDyMGG

4.33

-16.48

-12.15
14 PyyDyMVG

3.98

-16.04

-12.06
15 PyyIyMGG

3.76

-15.27

-11.51
16 PyyMyMGG

2.92

-14.36

-11.44
17 PyyEyMDG

3.8

-15.18

-11.38
18 PyyDyMGG

2.97

-14.06

-11.09
19 PyyDyMDG

3.7

-14.54

-10.84
20 PyyEyMIG

4.1

-14.79

-10.69
21 syyEyMVG

5.0

-15.56

-10.56
22 PyyDyMIG

3.82

-14.36

-10.54
23 PyyEyMPG

4.17

-14.7

-10.53
24 PyyDyMPG

3.93

-14.26

-10.33
25 DyyEyMVG

3.87

-14.06

-10.19
26 FyyDyMGG

2.37

-12.55

-10.18
27 EyyEyMGG

3.65

-13.46

-9.81
28 PyyEyMVG

3.09

-12.53

-9.44
29 FyyEyMGG

2.49

-11.63

-9.14
30 PyyEyMGG

4.53

-12.53

-8.0

 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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