Predicted ligand sequences


ADAN-name: 1NU22.PDB (view again the scoring matrix)

PDB name: [1NU2.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N F D N P V Y R K T
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
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    

(Help)

Intraclash 2.636 ΔGbinding -23.530
TOTAL
 -20.894
Backbone Hb -5.925 Cis_bond 0.000
Sidechain Hb -7.238 Torsional clash 0.477
Van der Waals -15.219 Backbone clash 1.962
Electrostatics -2.973 Helix dipole -0.005
Solvation Polar 19.529 Water bridges -0.023
Solvation Hyd -20.448 Disulfide 0.000
VdW clashes 0.775 Electrost. Kon -1.805
Entropy sc 6.013 Part.cov.bonds 0.000
Entropy mc

3.312

 ΔGstability

-8.157
       

Predicted ligand sequences for template [1NU22.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).
 
  1NU22.PDB  

(data)
# Predicted Sequences Value Calculate
1 NFyNyMVyMG 0.0
2 NFyNPMVyMG 0.04
3 NFyNWMVyMG 0.08
4 NFyNyVVyMG 0.13
5 NFyVyMVyMG 0.16
6 NFyNPVVyMG 0.17
7 NFyVPMVyMG 0.19
8 NFyNWVVyMG 0.21
9 NFyNyMVyMs 0.21
10 NFyVWMVyMG 0.23
11 NFyNyMVyKG 0.24
12 NFyNPMVyMs 0.25
13 NFyNyMVEMG 0.27
14 NFyNPMVyKG 0.27
15 NFyNWMVyMs 0.29
16 NFyVyVVyMG 0.29
17 NFyNyMVIMG 0.29
18 NFyNPMVEMG 0.3
19 NFyVPVVyMG 0.32
20 NFyNWMVyKG 0.32
21 NFyNyMFyMG 0.33
22 NFyNPMVIMG 0.33
23 NFyNyMVyRG 0.34
24 NFyNyVVyMs 0.34
25 NFyNWMVEMG 0.35
26 NFyNyFVyMG 0.35
27 NFyNyMMyMG 0.36
28 NFyNPMFyMG 0.37
29 NFyVyMVyMs 0.37
30 NFyVWVVyMG 0.37
31 NFyNWMVIMG 0.37
32 NFyNyVVyKG 0.37
33 NFyNPMVyRG 0.37
34 NFyNPVVyMs 0.38
35 NFyNPFVyMG 0.39
36 NFyVyMVyKG 0.39
37 NFyVPMVyMs 0.4
38 NFyNyVVEMG 0.4
39 NFyNPVVyKG 0.4
40 NFyNyMVyMA 0.4
41 NFyNPMMyMG 0.4
42 NFyNWMFyMG 0.41
43 NFyNWVVyMs 0.42
44 NFyVyMVEMG 0.42
45 NFyNWMVyRG 0.42
46 NFyNyVVIMG 0.42
47 NFyVPMVyKG 0.43
48 NFyNWFVyMG 0.43
49 NFyNPVVEMG 0.44
50 NFyNPMVyMA 0.44
51 NFyVWMVyMs 0.45
52 NFyNWVVyKG 0.45
53 NFyVyMVIMG 0.45
54 NFyNWMMyMG 0.45
55 NFyNyMVyKs 0.45
56 NFyNPVVIMG 0.46
57 NFyVPMVEMG 0.46
58 NFyNyVFyMG 0.46
59 NFyNyVVyRG 0.47
60 NFyVWMVyKG 0.47
61 NFyNWVVEMG 0.48
62 NFyNyMVEMs 0.48
63 NFyNWMVyMA 0.48
64 NFyNPMVyKs 0.48
65 NFyVPMVIMG 0.48
66 NFyVyMFyMG 0.49
67 NFyVyMVyRG 0.49
68 NFyNWVVIMG 0.5
69 NFyNyVMyMG 0.5
70 NFyNPVFyMG 0.5
71 NFyVyVVyMs 0.5
72 NFyNPVVyRG 0.5
73 NFyNyMVIMs 0.5
74 NFyVWMVEMG 0.5
75 NFyNyMVEKG 0.51
76 NFyVyFVyMG 0.51
77 NFyVyMMyMG 0.52
78 NFyNPMVEMs 0.52
79 NFyVyVVyKG 0.52
80 NFyVPMFyMG 0.52
81 NFyNyMVIKG 0.53
82 NFyNPVMyMG 0.53
83 NFyVWMVIMG 0.53
84 NFyNyVVyMA 0.53
85 NFyVPVVyMs 0.53
86 NFyVPMVyRG 0.53
87 NFyNWMVyKs 0.53
88 NFyNWVFyMG 0.54
89 NFyNPMVEKG 0.54
90 NFyNyMFyMs 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 NFyNyMFyMG

2.29

-20.99

-18.7
2 NFyNPMFyMG

1.97

-19.91

-17.94
3 NFyNWMVyMs

2.75

-19.16

-16.41
4 NFyNyMVyRG

2.64

-19.0

-16.36
5 NFyNPVVyMG

1.63

-17.96

-16.33
6 NFyNPMVyMs

1.6

-17.78

-16.18
7 NFyNyMMyMG

1.91

-18.07

-16.16
8 NFyVPVVyMG

2.58

-18.73

-16.15
9 NFyVyMVyMG

3.62

-19.62

-16.0
10 NFyNyVVyMG

2.84

-18.82

-15.98
11 NFyNWMVyMG

2.94

-18.89

-15.95
12 NFyNyVVyMs

2.18

-18.1

-15.92
13 NFyNPMVEMG

1.68

-17.38

-15.7
14 NFyNPMVIMG

1.84

-17.45

-15.61
15 NFyNPMVyMG

2.03

-17.51

-15.48
16 NFyNWMVyKG

2.57

-17.68

-15.11
17 NFyVyMVyMs

3.6

-18.51

-14.91
18 NFyNyMVIMG

3.12

-17.91

-14.79
19 NFyNPMVyKG

1.74

-16.38

-14.64
20 NFyVPMVyMG

3.81

-18.01

-14.2
21 NFyNyMVyKG

4.02

-17.44

-13.42
22 NFyNyFVyMG

4.03

-16.96

-12.93
23 NFyVWVVyMG

3.26

-16.01

-12.75
24 NFyNyMVEMG

5.62

-17.68

-12.06
25 NFyNWVVyMG

1.8

-13.5

-11.7
26 NFyVyVVyMG

7.02

-18.05

-11.03
27 NFyNyMVyMs

7.09

-18.05

-10.96
28 NFyVWMVyMG

4.77

-15.25

-10.48
29 NFyNWMVEMG

6.89

-16.14

-9.25
30 NFyNyMVyMG

7.13

-16.04

-8.91

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER