Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-1.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
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    

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Intraclash 13.747 ΔGbinding -1.883
TOTAL
 11.864
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 1.737
Van der Waals -5.319 Backbone clash 0.282
Electrostatics -0.218 Helix dipole 0.000
Solvation Polar 5.857 Water bridges -0.007
Solvation Hyd -7.284 Disulfide 0.000
VdW clashes 4.074 Electrost. Kon -0.296
Entropy sc 1.247 Part.cov.bonds 0.000
Entropy mc

2.150

 ΔGstability

42.202
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-1.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_1ZUU-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKRRRFWDRW 0.0
2 RKKRRFWDRW 0.04
3 RKRRRFWRRW 0.04
4 RKKRRFWRRW 0.08
5 RKGRRFWDRW 0.13
6 RKRRRFWKRW 0.15
7 RKGRRFWRRW 0.17
8 RKKRRFWKRW 0.19
9 RKHRRFWDRW 0.21
10 RKHRRFWRRW 0.24
11 RKGRRFWKRW 0.29
12 RKRRRFWDRY 0.31
13 RKRRRFKDRW 0.33
14 RKKRRFWDRY 0.35
15 RKRRRFWRRY 0.35
16 RKHRRFWKRW 0.36
17 RKRRRFKRRW 0.36
18 RKKRRFKDRW 0.37
19 RKRRRFWSRW 0.37
20 RKKRRFWRRY 0.39
21 RKKRRFKRRW 0.4
22 RKKRRFWSRW 0.41
23 RKGRRFWDRY 0.44
24 RKGRRFKDRW 0.46
25 RKRRRFWKRY 0.46
26 RKGRRFWRRY 0.48
27 RKRRRFKKRW 0.48
28 RKRRRYWDRW 0.48
29 RKGRRFKRRW 0.5
30 RKKRRFWKRY 0.5
31 RKRRRYWRRW 0.51
32 RKGRRFWSRW 0.51
33 RKKRRFKKRW 0.52
34 RKKRRYWDRW 0.52
35 RKHRRFWDRY 0.52
36 RKHRRFKDRW 0.54
37 RKHRRFWRRY 0.55
38 RKKRRYWRRW 0.55
39 RKHRRFKRRW 0.57
40 RKHRRFWSRW 0.58
41 RKGRRFWKRY 0.59
42 RKGRRYWDRW 0.61
43 RKGRRFKKRW 0.61
44 RKRRRYWKRW 0.63
45 RKRRRFKDRY 0.64
46 RKGRRYWRRW 0.65
47 RKHRRFWKRY 0.67
48 RKKRRYWKRW 0.67
49 RKKRRFKDRY 0.68
50 RKHRRYWDRW 0.68
51 RKRRRFKRRY 0.68
52 RKRRRFWSRY 0.68
53 RKHRRFKKRW 0.69
54 RKRRRFKSRW 0.7
55 RKKRRFKRRY 0.71
56 RKHRRYWRRW 0.72
57 RKKRRFWSRY 0.72
58 RKKRRFKSRW 0.74
59 RKGRRYWKRW 0.76
60 RKGRRFKDRY 0.77
61 RKRRRFKKRY 0.79
62 RKRRRYWDRY 0.79
63 RKRRRYKDRW 0.8
64 RKGRRFKRRY 0.81
65 RKRRRYWRRY 0.82
66 RKGRRFWSRY 0.82
67 RKKRRYWDRY 0.82
68 RKKRRFKKRY 0.83
69 RKHRRYWKRW 0.83
70 RKKRRYKDRW 0.84
71 RKGRRFKSRW 0.84
72 RKHRRFKDRY 0.84
73 RKRRRYKRRW 0.84
74 RKRRRYWSRW 0.85
75 RKKRRYWRRY 0.86
76 RKHRRFKRRY 0.88
77 RKKRRYKRRW 0.88
78 RKHRRFWSRY 0.89
79 RKKRRYWSRW 0.89
80 RKHRRFKSRW 0.91
81 RKGRRYWDRY 0.92
82 RKGRRFKKRY 0.92
83 RKGRRYKDRW 0.94
84 RKRRRYWKRY 0.94
85 RKRRRYKKRW 0.96
86 RKGRRYWRRY 0.96
87 RKGRRYKRRW 0.97
88 RKKRRYWKRY 0.98
89 RKGRRYWSRW 0.98
90 RKHRRYWDRY 0.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKKRRFWRRY

7.03

-9.76

-2.73
2 RKKRRFWDRY

8.15

-10.2

-2.05
3 RKRRRFKRRW

7.23

-9.0

-1.77
4 RKKRRFWKRY

6.31

-7.81

-1.5
5 RKRRRFWKRY

5.18

-6.57

-1.39
6 RKRRRFKDRW

5.45

-6.77

-1.32
7 RKRRRFWDRY

7.46

-8.78

-1.32
8 RKRRRFKKRW

7.4

-8.58

-1.18
9 RKKRRFKRRW

7.15

-8.27

-1.12
10 RKKRRFWDRW

7.62

-8.69

-1.07
11 RKKRRFWKRW

6.79

-7.81

-1.02
12 RKRRRFWRRW

7.56

-8.57

-1.01
13 RKHRRFWRRW

7.58

-8.41

-0.83
14 RKRRRFWDRW

7.55

-8.36

-0.81
15 RKRRRFWRRY

7.67

-8.47

-0.8
16 RKGRRFKRRW

5.79

-6.47

-0.68
17 RKKRRFWRRW

7.75

-8.32

-0.57
18 RKKRRFKDRW

7.58

-8.03

-0.45
19 RKHRRFWDRW

5.26

-5.69

-0.43
20 RKRRRFWKRW

8.17

-8.59

-0.42
21 RKGRRFKDRW

7.57

-7.95

-0.38
22 RKKRRFWSRW

8.5

-8.87

-0.37
23 RKGRRFWRRW

7.6

-7.88

-0.28
24 RKGRRFWDRW

7.61

-7.67

-0.06
25 RKRRRFWSRW

7.8

-7.85

-0.05
26 RKRRRYWDRW

6.77

-6.59

0.18
27 RKGRRFWDRY

7.3

-7.04

0.26
28 RKGRRFWRRY

8.41

-8.0

0.41
29 RKHRRFWKRW

8.56

-7.51

1.05
30 RKGRRFWKRW

6.26

-4.65

1.61

 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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