Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-8.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 1.428 ΔGbinding -0.713
TOTAL
 0.715
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.938
Van der Waals -3.872 Backbone clash 0.004
Electrostatics 0.495 Helix dipole 0.000
Solvation Polar 3.947 Water bridges -0.006
Solvation Hyd -5.095 Disulfide 0.000
VdW clashes 0.771 Electrost. Kon 0.483
Entropy sc 0.445 Part.cov.bonds 0.000
Entropy mc

2.457

 ΔGstability

47.686
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWPPRPPR 0.0
2 DWPPRPER 0.09
3 DWPPRRPR 0.11
4 FWPPRPPR 0.13
5 DWPPRPRR 0.15
6 HWPPRPPR 0.16
7 DWPPRRER 0.2
8 FWPPRPER 0.21
9 DWPFRPPR 0.22
10 DWPWRPPR 0.22
11 HWPPRPER 0.24
12 FWPPRRPR 0.24
13 DWPPRRRR 0.26
14 HWPPRRPR 0.27
15 FWPPRPRR 0.28
16 DWPFRPER 0.3
17 DWPWRPER 0.3
18 DWPPRPPF 0.3
19 HWPPRPRR 0.31
20 DWPWRRPR 0.33
21 FWPPRRER 0.33
22 DWPFRRPR 0.33
23 FWPWRPPR 0.34
24 HWPPRRER 0.35
25 FWPFRPPR 0.35
26 HWPWRPPR 0.37
27 DWPWRPRR 0.37
28 DWPFRPRR 0.37
29 DWFPRPPR 0.37
30 HWPFRPPR 0.38
31 DWPPRPEF 0.38
32 FWPPRRRR 0.39
33 DWPFRRER 0.41
34 DWPWRRER 0.41
35 DWPPRRPF 0.41
36 HWPPRRRR 0.42
37 FWPFRPER 0.43
38 FWPWRPER 0.43
39 FWPPRPPF 0.43
40 DWFPRPER 0.45
41 DWPPRPRF 0.45
42 HWPPRPPF 0.45
43 FWPWRRPR 0.46
44 HWPWRPER 0.46
45 FWPFRRPR 0.46
46 HWPFRPER 0.46
47 DWKPRPPR 0.47
48 DWPFRRRR 0.48
49 DWFPRRPR 0.48
50 DWPWRRRR 0.48
51 HWPWRRPR 0.48
52 DWPPRREF 0.49
53 HWPFRRPR 0.49
54 FWPWRPRR 0.49
55 FWFPRPPR 0.5
56 FWPFRPRR 0.5
57 DWPWRPPF 0.51
58 FWPPRPEF 0.51
59 DWFPRPRR 0.52
60 DWPFRPPF 0.52
61 HWPWRPRR 0.52
62 HWPFRPRR 0.53
63 HWFPRPPR 0.53
64 HWPPRPEF 0.54
65 FWPFRRER 0.54
66 FWPPRRPF 0.54
67 FWPWRRER 0.54
68 DWKPRPER 0.56
69 DWPPRRRF 0.56
70 DWFPRRER 0.56
71 HWPWRRER 0.57
72 HWPFRRER 0.57
73 HWPPRRPF 0.57
74 FWFPRPER 0.58
75 FWPPRPRF 0.58
76 DWKPRRPR 0.58
77 DWFWRPPR 0.58
78 DWFFRPPR 0.59
79 DWPWRPEF 0.6
80 HWPPRPRF 0.6
81 DWPFRPEF 0.6
82 FWKPRPPR 0.6
83 FWPWRRRR 0.61
84 FWFPRRPR 0.61
85 HWFPRPER 0.61
86 FWPFRRRR 0.61
87 DWPWRRPF 0.62
88 FWPPRREF 0.62
89 DWKPRPRR 0.62
90 DWFPRRRR 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DWFPRPPR

3.53

-6.88

-3.35
2 HWPPRPPR

3.11

-4.99

-1.88
3 HWPPRPER

3.97

-5.51

-1.54
4 DWPPRPPR

3.49

-4.85

-1.36
5 DWPWRPPR

3.59

-4.49

-0.9
6 DWPPRPER

3.37

-4.19

-0.82
7 HWPFRPPR

4.05

-4.85

-0.8
8 HWPPRPRR

3.39

-4.17

-0.78
9 DWPFRPER

3.31

-3.9

-0.59
10 DWPPRPRR

3.74

-4.32

-0.58
11 DWPWRPRR

4.0

-4.54

-0.54
12 FWPWRPPR

4.6

-5.08

-0.48
13 HWPWRPPR

3.68

-4.15

-0.47
14 DWPPRRPR

2.99

-3.45

-0.46
15 DWPFRPPR

3.77

-4.19

-0.42
16 DWPWRPER

3.25

-3.66

-0.41
17 DWPPRPPF

3.54

-3.91

-0.37
18 DWPFRPRR

3.61

-3.88

-0.27
19 HWPPRRPR

3.39

-3.6

-0.21
20 DWPPRRRR

3.54

-3.42

0.12
21 DWPFRRPR

3.01

-2.85

0.16
22 DWPWRRPR

3.47

-3.2

0.27
23 DWPPRRER

2.98

-2.67

0.31
24 FWPFRPPR

3.8

-2.92

0.88
25 FWPPRPRR

3.86

-2.78

1.08
26 HWPPRRER

4.21

-2.99

1.22
27 FWPPRRER

4.2

-2.93

1.27
28 FWPPRPPR

3.73

-2.09

1.64
29 FWPPRPER

3.75

-0.98

2.77
30 FWPPRRPR

3.42

0.09

3.51

 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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