Predicted ligand sequences


ADAN-name: 2DF62.PDB (view again the scoring matrix)

PDB name: [2DF6.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P P V I A P R P E H T K S I Y T R S
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
poly-Ala A
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    

(Help)

Intraclash 3.479 ΔGbinding -22.240
TOTAL
 -18.761
Backbone Hb -4.270 Cis_bond 0.000
Sidechain Hb -8.340 Torsional clash 0.320
Van der Waals -14.490 Backbone clash 2.890
Electrostatics -5.150 Helix dipole 0.000
Solvation Polar 17.120 Water bridges -1.080
Solvation Hyd -17.110 Disulfide 0.000
VdW clashes 3.650 Electrost. Kon -2.380
Entropy sc 5.590 Part.cov.bonds 0.000
Entropy mc

3.890

 ΔGstability

-1.180
       

Predicted ligand sequences for template [2DF62.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).
 
  2DF62.PDB  

(data)
# Predicted Sequences Value Calculate
1 FEDMWRRRRHRRRRYHKR 0.0
2 FEDMWRRRHHRRRRYHKR 0.05
3 FEDLWRRRRHRRRRYHKR 0.07
4 FEDMWRRRRHRRRHYHKR 0.09
5 FEDMWKRRRHRRRRYHKR 0.1
6 FEDMMRRRRHRRRRYHKR 0.1
7 FPDMWRRRRHRRRRYHKR 0.11
8 FEDMWRRRRHRRRRYHRR 0.12
9 FEDLWRRRHHRRRRYHKR 0.12
10 FEDMWRRRRHRRRRYHMR 0.14
11 FEDMWRRRHHRRRHYHKR 0.14
12 FEDMWKRRHHRRRRYHKR 0.15
13 FEDMMRRRHHRRRRYHKR 0.15
14 FPDMWRRRHHRRRRYHKR 0.16
15 FEDLWRRRRHRRRHYHKR 0.16
16 FEDLMRRRRHRRRRYHKR 0.17
17 FEDMWRRRHHRRRRYHRR 0.17
18 FEDLWKRRRHRRRRYHKR 0.17
19 FEDMWHRRRHRRRRYHKR 0.18
20 FEDMWRRRRHRRRRYHKH 0.18
21 FEDMWRRRRHRRRKYHKR 0.18
22 FEDMWRRRKHRRRRYHKR 0.18
23 FPDLWRRRRHRRRRYHKR 0.18
24 FEDLWRRRRHRRRRYHRR 0.19
25 FEDMWRRRHHRRRRYHMR 0.19
26 FEDMWKRRRHRRRHYHKR 0.19
27 FEDMMRRRRHRRRHYHKR 0.19
28 MEDMWRRRRHRRRRYHKR 0.2
29 FEDMMKRRRHRRRRYHKR 0.2
30 FPDMWRRRRHRRRHYHKR 0.2
31 FEDLWRRRHHRRRHYHKR 0.21
32 FEDMWRRRRHRRRHYHRR 0.21
33 FPDMMRRRRHRRRRYHKR 0.21
34 FPDMWKRRRHRRRRYHKR 0.21
35 FEDLWRRRRHRRRRYHMR 0.21
36 FEDLMRRRHHRRRRYHKR 0.22
37 FEDMMRRRRHRRRRYHRR 0.22
38 FEDLWKRRHHRRRRYHKR 0.22
39 FEDMWKRRRHRRRRYHRR 0.22
40 FPDLWRRRHHRRRRYHKR 0.23
41 FPDMWRRRRHRRRRYHRR 0.23
42 FEDMWHRRHHRRRRYHKR 0.23
43 FEDMWRRRHHRRRRYHKH 0.23
44 FEDMWRRRRHRRRHYHMR 0.23
45 FEDMWRRRHHRRRKYHKR 0.23
46 FEDMWKRRHHRRRHYHKR 0.24
47 LEDMWRRRRHRRRRYHKR 0.24
48 FEDMMRRRHHRRRHYHKR 0.24
49 FEPMWRRRRHRRRRYHKR 0.24
50 FECMWRRRRHRRRRYHKR 0.24
51 FEDLWRRRHHRRRRYHRR 0.24
52 FEDMWKRRRHRRRRYHMR 0.24
53 FEDMMRRRRHRRRRYHMR 0.24
54 FPDMWRRRRHRRRRYHMR 0.25
55 FEDLWHRRRHRRRRYHKR 0.25
56 FEDLWRRRRHRRRRYHKH 0.25
57 FEDMMKRRHHRRRRYHKR 0.25
58 MEDMWRRRHHRRRRYHKR 0.25
59 FPDMWRRRHHRRRHYHKR 0.25
60 FEDLWRRRKHRRRRYHKR 0.25
61 FEDLWRRRRHRRRKYHKR 0.25
62 FPDMMRRRHHRRRRYHKR 0.26
63 FEDLWRRRHHRRRRYHMR 0.26
64 FEDMWRRRHHRRRHYHRR 0.26
65 FEDLMRRRRHRRRHYHKR 0.26
66 FEDLWKRRRHRRRHYHKR 0.26
67 FPDMWKRRHHRRRRYHKR 0.26
68 FEDLMKRRRHRRRRYHKR 0.27
69 FEDMWKRRHHRRRRYHRR 0.27
70 FPDLWRRRRHRRRHYHKR 0.27
71 FEDMMRRRHHRRRRYHRR 0.27
72 FEDMKRRRRHRRRRYHKR 0.27
73 FEDMWRRRRHRRRHYHKH 0.27
74 FEDMWRRRKHRRRHYHKR 0.27
75 MEDLWRRRRHRRRRYHKR 0.27
76 FEDMWHRRRHRRRHYHKR 0.27
77 FEDMWKRRRHRRRRYHKH 0.28
78 FEDMWRRRHHRRRHYHMR 0.28
79 FPDMWRRRHHRRRRYHRR 0.28
80 FEDMMHRRRHRRRRYHKR 0.28
81 FEDLWRRRRHRRRHYHRR 0.28
82 FPDLMRRRRHRRRRYHKR 0.28
83 FEDMWKRRKHRRRRYHKR 0.28
84 FEDMMRRRKHRRRRYHKR 0.28
85 FEDMWKRRRHRRRKYHKR 0.28
86 FEDMMRRRRHRRRKYHKR 0.28
87 FEDMMRRRRHRRRRYHKH 0.28
88 FPDLWKRRRHRRRRYHKR 0.29
89 LEDMWRRRHHRRRRYHKR 0.29
90 FECMWRRRHHRRRRYHKR 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FEDMWRRRRHRRRRYHRR

9.27

-24.09

-14.82
2 FEDMWRRRHHRRRRYHKR

8.94

-23.2

-14.26
3 FEDMWRRRHHRRRRYHRR

10.04

-24.04

-14.0
4 FEDLWKRRRHRRRRYHKR

9.98

-23.78

-13.8
5 FEDMWKRRHHRRRRYHKR

9.49

-23.21

-13.72
6 FEDMWRRRHHRRRRYHMR

7.54

-21.24

-13.7
7 FEDLWRRRHHRRRRYHKR

9.54

-23.23

-13.69
8 FEDMWKRRRHRRRRYHKR

8.26

-21.92

-13.66
9 FEDMWKRRRHRRRHYHKR

9.18

-22.79

-13.61
10 FEDMWHRRRHRRRRYHKR

7.34

-20.69

-13.35
11 FPDLWRRRRHRRRRYHKR

7.82

-21.11

-13.29
12 FEDMMRRRRHRRRHYHKR

9.53

-22.66

-13.13
13 FEDMMRRRHHRRRRYHKR

9.66

-22.75

-13.09
14 FPDMWRRRHHRRRRYHKR

8.89

-21.92

-13.03
15 FPDMWRRRRHRRRRYHKR

7.61

-20.29

-12.68
16 FEDMWRRRKHRRRRYHKR

9.63

-22.05

-12.42
17 FEDLMRRRRHRRRRYHKR

9.7

-21.98

-12.28
18 FEDMWRRRRHRRRRYHKH

8.69

-20.83

-12.14
19 FEDMWRRRRHRRRHYHKR

8.29

-20.39

-12.1
20 MEDMWRRRRHRRRRYHKR

8.74

-20.56

-11.82
21 FPDMWRRRRHRRRHYHKR

7.96

-19.61

-11.65
22 FEDMWRRRRHRRRRYHKR

9.68

-21.21

-11.53
23 FEDMWRRRHHRRRHYHKR

11.51

-22.71

-11.2
24 FEDLWRRRRHRRRRYHKR

7.54

-18.58

-11.04
25 FEDLWRRRRHRRRHYHKR

10.42

-21.35

-10.93
26 FEDLWRRRRHRRRRYHRR

8.36

-18.89

-10.53
27 FEDMWRRRRHRRRKYHKR

8.92

-18.68

-9.76
28 FEDMMKRRRHRRRRYHKR

7.72

-17.28

-9.56
29 FEDMWRRRRHRRRRYHMR

12.49

-20.23

-7.74
30 FEDMMRRRRHRRRRYHKR

10.7

-15.79

-5.09

 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