Predicted ligand sequences


ADAN-name: 1DEV3.PDB (view again the scoring matrix)

PDB name: [1DEV.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q A Q A S G A L S S P P P T V M V P V G
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 A
A
 A
A
G
 A A
A
A
A
A
A
A
A
 A
A
A
A
G

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 4.617 ΔGbinding -12.970
TOTAL
 -8.353
Backbone Hb -5.562 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.345
Van der Waals -14.273 Backbone clash 5.353
Electrostatics 0.456 Helix dipole 0.037
Solvation Polar 15.347 Water bridges -0.088
Solvation Hyd -22.872 Disulfide 0.000
VdW clashes 4.004 Electrost. Kon 0.566
Entropy sc 2.237 Part.cov.bonds 0.000
Entropy mc

7.109

 ΔGstability

24.795
       

Predicted ligand sequences for template [1DEV3.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).
 
  1DEV3.PDB  

(data)
# Predicted Sequences Value Calculate
1 DFRTYGAMPHFNPMIMVRWG 0.0
2 DWRTYGAMPHFNPMIMVRWG 0.03
3 DFRTYGAMPHPNPMIMVRWG 0.05
4 DFVTYGAMPHFNPMIMVRWG 0.07
5 DWRTYGAMPHPNPMIMVRWG 0.08
6 DFRTYGAMPWFNPMIMVRWG 0.1
7 DFRTYGAWPHFNPMIMVRWG 0.1
8 DFRTYGPMPHFNPMIMVRWG 0.1
9 DFRTYGAMPHFNPMIIVRWG 0.11
10 DWVTYGAMPHFNPMIMVRWG 0.11
11 DFVTYGAMPHPNPMIMVRWG 0.12
12 DFRTYGAMPHFNPMIMVRWC 0.13
13 DWRTYGAWPHFNPMIMVRWG 0.13
14 DWRTYGAMPWFNPMIMVRWG 0.13
15 DWRTYGPMPHFNPMIMVRWG 0.13
16 DFRTYGAMIHFNPMIMVRWG 0.14
17 DFRTYGAWPHPNPMIMVRWG 0.14
18 DFRTYGGMPHFNPMIMVRWG 0.15
19 DFRTYGPMPHPNPMIMVRWG 0.15
20 DWRTYGAMPHFNPMIIVRWG 0.15
21 DFRTYGAMRHFNPMIMVRWG 0.15
22 DFRTYGAMPWPNPMIMVRWG 0.15
23 DFMTYGAMPHFNPMIMVRWG 0.16
24 DFRTYGAMPHPNPMIIVRWG 0.16
25 DWRTYGAMPHFNPMIMVRWC 0.16
26 DWVTYGAMPHPNPMIMVRWG 0.16
27 DFRTYGAMPHFNPMIFVRWG 0.16
28 DFRTYGAMPHFNPMIMVRWA 0.17
29 DFRTYGAMPHPNPMIMVRWC 0.17
30 DWRTYGAMIHFNPMIMVRWG 0.17
31 DFVTYGAMPWFNPMIMVRWG 0.17
32 DFVTYGAWPHFNPMIMVRWG 0.17
33 DWRTYGGMPHFNPMIMVRWG 0.18
34 DWRTYGPMPHPNPMIMVRWG 0.18
35 DFRTYGAMIHPNPMIMVRWG 0.18
36 DWRTYGAMPWPNPMIMVRWG 0.18
37 DWRTYGAWPHPNPMIMVRWG 0.18
38 DFVTYGPMPHFNPMIMVRWG 0.18
39 DWRTYGAMRHFNPMIMVRWG 0.19
40 DWRTYGAMPHPNPMIIVRWG 0.19
41 DFVTYGAMPHFNPMIIVRWG 0.19
42 DWRTYGAMPHFNPMIFVRWG 0.19
43 DWMTYGAMPHFNPMIMVRWG 0.19
44 DFRTYGAMRHPNPMIMVRWG 0.2
45 DFRTYGPWPHFNPMIMVRWG 0.2
46 DFRTYGPMPWFNPMIMVRWG 0.2
47 DWRTYGAMPHFNPMIMVRWA 0.2
48 DFMTYGAMPHPNPMIMVRWG 0.2
49 DFRTYGGMPHPNPMIMVRWG 0.2
50 DFRTYGAWPWFNPMIMVRWG 0.2
51 DFVTYGAMPHFNPMIMVRWC 0.2
52 DWVTYGAMPWFNPMIMVRWG 0.21
53 DWVTYGAWPHFNPMIMVRWG 0.21
54 DWVTYGPMPHFNPMIMVRWG 0.21
55 DFRTYGAWPHFNPMIIVRWG 0.21
56 DWRTYGAMPHPNPMIMVRWC 0.21
57 DFRTYGAMPHPNPMIMVRWA 0.21
58 DFVTYGAMIHFNPMIMVRWG 0.21
59 DFRTYGAMPWFNPMIIVRWG 0.21
60 DFRTYGAMPHPNPMIFVRWG 0.21
61 DFRTYGPMPHFNPMIIVRWG 0.22
62 DWRTYGAMIHPNPMIMVRWG 0.22
63 DFVTYGGMPHFNPMIMVRWG 0.22
64 DFVTYGPMPHPNPMIMVRWG 0.22
65 DFVTYGAMPWPNPMIMVRWG 0.22
66 DFVTYGAWPHPNPMIMVRWG 0.22
67 DWVTYGAMPHFNPMIIVRWG 0.22
68 DWRTYGAMRHPNPMIMVRWG 0.23
69 DFRTYGAMIWFNPMIMVRWG 0.23
70 DWRTYGGMPHPNPMIMVRWG 0.23
71 DFRTYGAWIHFNPMIMVRWG 0.23
72 DFRTYGAMPWFNPMIMVRWC 0.23
73 DWRTYGAWPWFNPMIMVRWG 0.23
74 DFVTYGAMRHFNPMIMVRWG 0.23
75 DWRTYGPMPWFNPMIMVRWG 0.23
76 DFRTYGAWPHFNPMIMVRWC 0.23
77 DFRTYGPMPHFNPMIMVRWC 0.23
78 DWRTYGPWPHFNPMIMVRWG 0.23
79 DFVTYGAMPHFNPMIFVRWG 0.24
80 DFVTYGAMPHFNPMIMVRWA 0.24
81 DFRTYGAWPWPNPMIMVRWG 0.24
82 DFRTYGAMPHFNPMIIVRWC 0.24
83 DWVTYGAMPHFNPMIMVRWC 0.24
84 DWVTYGAMIHFNPMIMVRWG 0.24
85 DFVTYGAMPHPNPMIIVRWG 0.24
86 DFRTYGPMIHFNPMIMVRWG 0.24
87 DFRTYGAFPHFNPMIMVRWG 0.24
88 DWRTYGAMPHPNPMIFVRWG 0.24
89 DWMTYGAMPHPNPMIMVRWG 0.24
90 DWRTYGAWPHFNPMIIVRWG 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DFRTYGAWPHPNPMIMVRWG

5.82

-18.62

-12.8
2 DFRTYGAMPHFNPMIIVRWG

6.21

-18.63

-12.42
3 DWRTYGAMPHPNPMIMVRWG

5.85

-17.41

-11.56
4 DWVTYGAMPHPNPMIMVRWG

5.7

-17.15

-11.45
5 DWRTYGAMPWFNPMIMVRWG

6.0

-16.59

-10.59
6 DFRTYGPMPHFNPMIMVRWG

7.0

-17.11

-10.11
7 DFRTYGAMRHFNPMIMVRWG

5.09

-15.19

-10.1
8 DWRTYGAMIHFNPMIMVRWG

5.7

-15.71

-10.01
9 DFRTYGAMPHPNPMIIVRWG

5.98

-15.71

-9.73
10 DFRTYGAWPHFNPMIMVRWG

6.1

-15.65

-9.55
11 DWRTYGAWPHFNPMIMVRWG

6.03

-15.35

-9.32
12 DFRTYGAMIHFNPMIMVRWG

6.36

-15.55

-9.19
13 DFRTYGPMPHPNPMIMVRWG

7.78

-16.89

-9.11
14 DFRTYGAMPWPNPMIMVRWG

6.34

-15.35

-9.01
15 DFMTYGAMPHFNPMIMVRWG

6.6

-15.48

-8.88
16 DWRTYGAMPHFNPMIIVRWG

6.56

-15.34

-8.78
17 DFRTYGAMPHPNPMIMVRWG

5.66

-14.44

-8.78
18 DFRTYGAMPHFNPMIFVRWG

6.98

-15.57

-8.59
19 DFRTYGAMPHFNPMIMVRWG

6.5

-15.07

-8.57
20 DWVTYGAMPHFNPMIMVRWG

7.11

-15.65

-8.54
21 DFRTYGAMPWFNPMIMVRWG

6.23

-14.72

-8.49
22 DFRTYGAMPHPNPMIMVRWC

5.91

-14.17

-8.26
23 DFRTYGAMPHFNPMIMVRWC

7.13

-15.34

-8.21
24 DWRTYGPMPHFNPMIMVRWG

8.27

-16.31

-8.04
25 DFVTYGAMPHPNPMIMVRWG

6.49

-14.37

-7.88
26 DFRTYGGMPHFNPMIMVRWG

5.8

-13.59

-7.79
27 DWRTYGAMPHFNPMIMVRWG

6.08

-13.81

-7.73
28 DFRTYGAMPHFNPMIMVRWA

7.08

-14.77

-7.69
29 DFVTYGAMPHFNPMIMVRWG

6.85

-14.39

-7.54
30 DWRTYGAMPHFNPMIMVRWC

7.28

-12.44

-5.16

 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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