Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 1.401 ΔGbinding -1.197
TOTAL
 0.204
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.672
Van der Waals -3.565 Backbone clash 0.006
Electrostatics 0.352 Helix dipole 0.000
Solvation Polar 3.731 Water bridges -0.035
Solvation Hyd -4.908 Disulfide 0.000
VdW clashes 0.546 Electrost. Kon 0.393
Entropy sc 0.472 Part.cov.bonds 0.000
Entropy mc

2.419

 ΔGstability

47.665
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-11.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).
 
  BZZ1-D2_G2B-ABO-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 KDPKHPR 0.0
2 KKPKHPR 0.06
3 KDPKHRR 0.08
4 KDPKHGR 0.12
5 KDPKHKR 0.13
6 KKPKHRR 0.14
7 KKPKHGR 0.18
8 KWPKHPR 0.19
9 KKPKHKR 0.2
10 KDRKHPR 0.21
11 KMPKHPR 0.23
12 KWPKHRR 0.27
13 KKRKHPR 0.27
14 KDKKHPR 0.28
15 KDRKHRR 0.29
16 KWPKHGR 0.3
17 KDEKHPR 0.3
18 KMPKHRR 0.32
19 KWPKHKR 0.32
20 KDRKHGR 0.33
21 KDRKHKR 0.34
22 KMPKHGR 0.35
23 KKRKHRR 0.35
24 KKKKHPR 0.35
25 KDKKHRR 0.36
26 KMPKHKR 0.37
27 KKEKHPR 0.37
28 KDEKHRR 0.38
29 KKRKHGR 0.39
30 KDKKHGR 0.4
31 KWRKHPR 0.4
32 KKRKHKR 0.41
33 KDKKHKR 0.41
34 KDEKHGR 0.42
35 KKKKHRR 0.43
36 KDEKHKR 0.44
37 WDPKHPR 0.44
38 KMRKHPR 0.44
39 KKEKHRR 0.45
40 KKKKHGR 0.46
41 KWKKHPR 0.47
42 KKEKHGR 0.48
43 KWRKHRR 0.48
44 KKKKHKR 0.48
45 KWEKHPR 0.49
46 WKPKHPR 0.5
47 KKEKHKR 0.5
48 KWRKHGR 0.51
49 KMRKHRR 0.52
50 WDPKHRR 0.52
51 KMKKHPR 0.52
52 KWRKHKR 0.53
53 KMEKHPR 0.54
54 WDPKHGR 0.55
55 KWKKHRR 0.55
56 KMRKHGR 0.56
57 KWEKHRR 0.57
58 WDPKHKR 0.57
59 KMRKHKR 0.58
60 WKPKHRR 0.58
61 KWKKHGR 0.58
62 KMKKHRR 0.6
63 KWKKHKR 0.6
64 KWEKHGR 0.61
65 KMEKHRR 0.62
66 WWPKHPR 0.62
67 KWEKHKR 0.62
68 WKPKHGR 0.62
69 KMKKHGR 0.63
70 WKPKHKR 0.63
71 KMKKHKR 0.65
72 KMEKHGR 0.65
73 WDRKHPR 0.65
74 WMPKHPR 0.67
75 KMEKHKR 0.67
76 WWPKHRR 0.7
77 WKRKHPR 0.71
78 WDKKHPR 0.72
79 WDRKHRR 0.73
80 WWPKHGR 0.74
81 WDEKHPR 0.74
82 WMPKHRR 0.75
83 WWPKHKR 0.76
84 WDRKHGR 0.76
85 WKKKHPR 0.78
86 WDRKHKR 0.78
87 WMPKHGR 0.79
88 WKRKHRR 0.79
89 WDKKHRR 0.8
90 WKEKHPR 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KDEKHPR

3.17

-6.66

-3.49
2 KKKKHPR

2.15

-5.14

-2.99
3 KMPKHPR

2.48

-5.45

-2.97
4 KMPKHGR

2.55

-5.31

-2.76
5 KKRKHGR

2.12

-4.79

-2.67
6 KMPKHKR

2.27

-4.92

-2.65
7 KWPKHKR

2.85

-5.48

-2.63
8 KWPKHGR

2.9

-5.53

-2.63
9 KDKKHRR

2.12

-4.75

-2.63
10 KKPKHPR

2.45

-5.06

-2.61
11 KKRKHPR

2.79

-5.22

-2.43
12 KMPKHRR

2.48

-4.86

-2.38
13 KDPKHKR

2.32

-4.58

-2.26
14 KWPKHPR

3.11

-5.32

-2.21
15 KKEKHPR

2.33

-4.48

-2.15
16 KDKKHPR

2.19

-4.28

-2.09
17 KDKKHGR

2.04

-4.08

-2.04
18 KKPKHGR

2.8

-4.75

-1.95
19 KWPKHRR

2.69

-4.63

-1.94
20 KDRKHKR

2.31

-4.25

-1.94
21 KDPKHPR

2.83

-4.73

-1.9
22 KDRKHRR

2.44

-4.33

-1.89
23 KKPKHRR

2.5

-4.39

-1.89
24 KKPKHKR

2.04

-3.85

-1.81
25 KDEKHRR

2.74

-4.52

-1.78
26 KDRKHPR

2.29

-4.02

-1.73
27 KKRKHRR

3.03

-4.47

-1.44
28 KDPKHRR

2.76

-4.15

-1.39
29 KDPKHGR

2.57

-3.88

-1.31
30 KDRKHGR

2.33

-3.64

-1.31

 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