Predicted ligand sequences


ADAN-name: 2J7I2.PDB (view again the scoring matrix)

PDB name: [2J7I.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G P P L P R P R V
position 1 2 3 4 5 6 7 8 9
poly-Ala
G
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 5.645 ΔGbinding -10.140
TOTAL
 -4.495
Backbone Hb -2.030 Cis_bond 0.000
Sidechain Hb -2.860 Torsional clash 0.110
Van der Waals -7.300 Backbone clash 0.370
Electrostatics -3.570 Helix dipole 0.000
Solvation Polar 8.980 Water bridges -0.910
Solvation Hyd -8.800 Disulfide 0.000
VdW clashes 1.240 Electrost. Kon -1.800
Entropy sc 4.360 Part.cov.bonds 0.000
Entropy mc

2.440

 ΔGstability

18.790
       

Predicted ligand sequences for template [2J7I2.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).
 
  2J7I2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ADPPVIRRK 0.0
2 ADPPVIRKK 0.01
3 MDPPVIRRK 0.02
4 MDPPVIRKK 0.03
5 GDPPVIRRK 0.03
6 GDPPVIRKK 0.04
7 ADPPVPRRK 0.12
8 ADPPVPRKK 0.13
9 MDPPVPRRK 0.14
10 MDPPVPRKK 0.15
11 GDPPVPRRK 0.15
12 ADPKVIRRK 0.16
13 GDPPVPRKK 0.16
14 ADPKVIRKK 0.17
15 ADPPIIRRK 0.18
16 MDPKVIRRK 0.18
17 ADPMVIRRK 0.18
18 MDPKVIRKK 0.19
19 ADPPIIRKK 0.19
20 GDPKVIRRK 0.19
21 ADPMVIRKK 0.19
22 MDPMVIRRK 0.2
23 GDPKVIRKK 0.2
24 MDPPIIRRK 0.2
25 MDPPIIRKK 0.21
26 GDPMVIRRK 0.21
27 MDPMVIRKK 0.21
28 GDPPIIRRK 0.21
29 GDPPIIRKK 0.22
30 GDPMVIRKK 0.22
31 ADPPVIRRR 0.28
32 ADPPVIRQK 0.28
33 ADPPVIHRK 0.28
34 ADPKVPRRK 0.28
35 ADPPIPRRK 0.29
36 ADPKVPRKK 0.29
37 ADPPVIRKR 0.29
38 ADPPVIHKK 0.29
39 ADPMVPRRK 0.3
40 MDPPVIRRR 0.3
41 MDPKVPRRK 0.3
42 MDPPVIRQK 0.3
43 MDPPVIHRK 0.3
44 MDPPVIRKR 0.31
45 GDPPVIHRK 0.31
46 GDPPVIRRR 0.31
47 MDPPVIHKK 0.31
48 GDPPVIRQK 0.31
49 MDPKVPRKK 0.31
50 ADPMVPRKK 0.31
51 GDPKVPRRK 0.31
52 ADPPIPRKK 0.31
53 MDPPIPRRK 0.31
54 GDPPVIHKK 0.32
55 GDPPIPRRK 0.32
56 MDPMVPRRK 0.32
57 GDPKVPRKK 0.32
58 GDPPVIRKR 0.32
59 GDPMVPRRK 0.33
60 MDPPIPRKK 0.33
61 MDPMVPRKK 0.33
62 ADPPVIFRK 0.34
63 ADPKIIRRK 0.34
64 GDPMVPRKK 0.34
65 GDPPIPRKK 0.34
66 ADPKIIRKK 0.35
67 ADPPVIFKK 0.35
68 MDPPVIFRK 0.36
69 MDPKIIRRK 0.36
70 ADPMIIRRK 0.36
71 MDPPVIFKK 0.37
72 ADPMIIRKK 0.37
73 GDPPVIFRK 0.37
74 GDPKIIRRK 0.37
75 MDPKIIRKK 0.37
76 GDPKIIRKK 0.38
77 GDPPVIFKK 0.38
78 MDPMIIRRK 0.38
79 ADPPVPRRR 0.39
80 GDPMIIRRK 0.39
81 MDPMIIRKK 0.39
82 ADPPVPHRK 0.4
83 ADPPVPRQK 0.4
84 GDPMIIRKK 0.4
85 ADPPVPHKK 0.41
86 ADPPVPRKR 0.41
87 MDPPVPRRR 0.41
88 GDPPVPRRR 0.42
89 MDPPVPHRK 0.42
90 MDPPVPRQK 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GDPPVPRRK

4.14

-18.19

-14.05
2 GDPPVIRRK

3.67

-17.57

-13.9
3 MDPPVPRRK

3.73

-17.31

-13.58
4 ADPPVPRRK

3.41

-16.29

-12.88
5 MDPPIIRRK

4.73

-17.25

-12.52
6 ADPPVIRRK

4.48

-16.37

-11.89
7 GDPPIIRRK

5.12

-16.66

-11.54
8 ADPPIIRRK

4.89

-15.7

-10.81
9 MDPKVIRRK

3.62

-14.41

-10.79
10 GDPPVPRKK

2.87

-13.62

-10.75
11 MDPMVIRRK

3.82

-14.24

-10.42
12 ADPMVIRRK

4.69

-14.99

-10.3
13 MDPPIIRKK

2.99

-13.28

-10.29
14 GDPKVIRRK

3.12

-13.32

-10.2
15 GDPKVIRKK

3.07

-13.23

-10.16
16 GDPMVIRRK

3.63

-13.06

-9.43
17 GDPMVIRKK

2.7

-12.06

-9.36
18 MDPMVIRKK

3.46

-12.56

-9.1
19 ADPMVIRKK

3.3

-12.18

-8.88
20 MDPPVPRKK

3.3

-12.05

-8.75
21 MDPPVIRRK

4.61

-13.02

-8.41
22 ADPPVPRKK

4.51

-12.4

-7.89
23 ADPKVIRRK

2.9

-10.53

-7.63
24 ADPPIIRKK

3.65

-11.12

-7.47
25 GDPPVIRKK

3.19

-10.43

-7.24
26 MDPKVIRKK

3.33

-10.18

-6.85
27 ADPKVIRKK

3.25

-10.05

-6.8
28 ADPPVIRKK

4.76

-11.49

-6.73
29 MDPPVIRKK

3.48

-10.03

-6.55
30 GDPPIIRKK

4.34

-10.71

-6.37

 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