Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-12.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala 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    

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Intraclash 2.724 ΔGbinding -0.030
TOTAL
 2.694
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.301
Van der Waals -1.414 Backbone clash 0.062
Electrostatics 0.098 Helix dipole 0.000
Solvation Polar 1.905 Water bridges -0.107
Solvation Hyd -1.818 Disulfide 0.000
VdW clashes 1.250 Electrost. Kon 0.092
Entropy sc 0.243 Part.cov.bonds 0.000
Entropy mc

0.697

 ΔGstability

17.827
       

Predicted ligand sequences for model [BZZ1-D2_2A28-12.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_2A28-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 WKFKRRRR 0.0
2 WDFKRRRR 0.08
3 WKFKPRRR 0.12
4 WKIKRRRR 0.15
5 WDFKPRRR 0.2
6 WKFKHRRR 0.22
7 WKFPRRRR 0.23
8 WDIKRRRR 0.24
9 WKIKPRRR 0.28
10 WDFKHRRR 0.3
11 WKFKRRRK 0.3
12 WDFPRRRR 0.32
13 WKFPPRRR 0.35
14 WDIKPRRR 0.36
15 WKIKHRRR 0.38
16 YKFKRRRR 0.38
17 WKIPRRRR 0.39
18 WDFKRRRK 0.39
19 WKFKRRRH 0.39
20 WKRKRRRR 0.42
21 WKFKPRRK 0.42
22 WDFPPRRR 0.44
23 WKFPHRRR 0.45
24 YDFKRRRR 0.46
25 WKIKRRRK 0.46
26 WDIKHRRR 0.46
27 WDFKRRRH 0.47
28 WDIPRRRR 0.47
29 KKFKRRRR 0.49
30 YKFKPRRR 0.5
31 WDFKPRRK 0.51
32 WDRKRRRR 0.51
33 WKIPPRRR 0.51
34 WKFKPRRH 0.51
35 WKFKHRRK 0.53
36 YKIKRRRR 0.53
37 WKRKPRRR 0.54
38 WKFPRRRK 0.54
39 WDFPHRRR 0.54
40 WKIKRRRH 0.54
41 WDIKRRRK 0.54
42 KDFKRRRR 0.57
43 YDFKPRRR 0.58
44 WKIKPRRK 0.58
45 WDFKPRRH 0.59
46 WDIPPRRR 0.59
47 YKFKHRRR 0.6
48 YDIKRRRR 0.61
49 WKFKHRRH 0.61
50 WKIPHRRR 0.61
51 WDFKHRRK 0.61
52 KKFKPRRR 0.61
53 YKFPRRRR 0.61
54 WKFPRRRH 0.62
55 WDIKRRRH 0.62
56 WDFPRRRK 0.62
57 WDRKPRRR 0.63
58 KKIKRRRR 0.64
59 WKRKHRRR 0.64
60 YKIKPRRR 0.65
61 WKRPRRRR 0.65
62 WKFPPRRK 0.66
63 WDIKPRRK 0.66
64 WKIKPRRH 0.66
65 WKIKHRRK 0.68
66 YKFKRRRK 0.68
67 YDFKHRRR 0.68
68 WKIPRRRK 0.69
69 WDFKHRRH 0.69
70 KDFKPRRR 0.69
71 YDFPRRRR 0.69
72 WDIPHRRR 0.69
73 WDFPRRRH 0.7
74 KKFKHRRR 0.71
75 KKFPRRRR 0.72
76 KDIKRRRR 0.72
77 WKRKRRRK 0.73
78 WDRKHRRR 0.73
79 YDIKPRRR 0.73
80 YKFPPRRR 0.73
81 WKFPPRRH 0.74
82 WDRPRRRR 0.74
83 WDFPPRRK 0.74
84 WDIKPRRH 0.75
85 YKIKHRRR 0.75
86 WKIKHRRH 0.76
87 YDFKRRRK 0.76
88 YKFKRRRH 0.76
89 WKFPHRRK 0.76
90 KKIKPRRR 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WDIKHRRR

2.79

-9.05

-6.26
2 WKIKHRRR

2.83

-8.84

-6.01
3 WDIKRRRR

2.64

-7.59

-4.95
4 WDFPPRRR

3.23

-7.98

-4.75
5 WKIKRRRK

2.9

-7.61

-4.71
6 WDFPRRRR

3.02

-7.47

-4.45
7 WDFKRRRH

3.27

-7.53

-4.26
8 WDIPRRRR

2.83

-7.07

-4.24
9 WKIKRRRR

2.8

-6.99

-4.19
10 WDFKPRRR

3.35

-7.48

-4.13
11 WKFPHRRR

3.1

-7.2

-4.1
12 WDFKHRRR

3.26

-7.35

-4.09
13 WKIKPRRR

2.83

-6.8

-3.97
14 WDIKPRRR

2.85

-6.66

-3.81
15 YDFKRRRR

3.48

-7.14

-3.66
16 WKFPPRRR

3.15

-6.8

-3.65
17 WKFKRRRH

3.17

-6.61

-3.44
18 WKFPRRRR

3.34

-6.67

-3.33
19 WKFKHRRR

3.39

-6.68

-3.29
20 WKFKRRRR

3.43

-6.65

-3.22
21 WKRKRRRR

2.9

-5.89

-2.99
22 WKFKPRRR

3.49

-6.35

-2.86
23 WDFKRRRK

2.87

-5.6

-2.73
24 KKFKRRRR

3.23

-5.95

-2.72
25 YKFKPRRR

3.49

-6.12

-2.63
26 WKIPRRRR

3.15

-5.69

-2.54
27 WDFKRRRR

3.0

-4.98

-1.98
28 WKFKRRRK

3.2

-4.79

-1.59
29 YKFKRRRR

2.88

-4.43

-1.55
30 WKFKPRRK

3.04

-4.2

-1.16

 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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