Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-15.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
poly-Ala
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 1.919 ΔGbinding 6.090
TOTAL
 8.009
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.300
Van der Waals -3.276 Backbone clash 0.187
Electrostatics 0.159 Helix dipole 0.000
Solvation Polar 3.989 Water bridges -0.038
Solvation Hyd -4.323 Disulfide 0.000
VdW clashes 5.582 Electrost. Kon 0.177
Entropy sc 0.316 Part.cov.bonds 0.000
Entropy mc

3.204

 ΔGstability

23.091
       

Predicted ligand sequences for model [BZZ1-D2_2A28-15.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_2A28-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWWIIRKRK 0.0
2 RWWIIRARK 0.01
3 RWFIIRARK 0.02
4 RWWIWRKRK 0.02
5 RWFIIRKRK 0.02
6 RWWIWRARK 0.03
7 RWFIWRKRK 0.04
8 RWWIIRRRK 0.04
9 RWWIFRKRK 0.05
10 RWRIIRKRK 0.05
11 RWWIFRARK 0.05
12 RWFIWRARK 0.05
13 RWWIWRRRK 0.06
14 RWRIIRARK 0.06
15 RWFIIRRRK 0.06
16 RWFIFRKRK 0.07
17 RWRIWRKRK 0.07
18 RWFIFRARK 0.07
19 RWFIWRRRK 0.08
20 RWRIWRARK 0.08
21 RWRIIRRRK 0.09
22 RWWIFRRRK 0.09
23 RWRIFRKRK 0.1
24 RWRIWRRRK 0.11
25 RWFIFRRRK 0.11
26 RWRIFRARK 0.11
27 RWRIFRRRK 0.14
28 RKWIIRKRK 0.16
29 RKWIIRARK 0.17
30 RKWIWRKRK 0.18
31 RKFIIRKRK 0.18
32 RKFIIRARK 0.18
33 RKWIWRARK 0.19
34 RKFIWRKRK 0.2
35 RKWIIRRRK 0.2
36 RKWIFRARK 0.21
37 RKWIFRKRK 0.21
38 RKRIIRKRK 0.21
39 RKFIWRARK 0.21
40 RKRIIRARK 0.22
41 RKFIIRRRK 0.22
42 RKWIWRRRK 0.22
43 RKFIFRARK 0.23
44 RKRIWRKRK 0.23
45 RKFIFRKRK 0.23
46 RWWIIRKTK 0.23
47 RWWIIRATK 0.24
48 RKRIWRARK 0.24
49 RKFIWRRRK 0.24
50 RWFIIRKTK 0.25
51 RKWIFRRRK 0.25
52 RKRIIRRRK 0.25
53 RKRIFRKRK 0.26
54 RWFIIRATK 0.26
55 RWWIWRKTK 0.26
56 RWWIWRATK 0.26
57 RKFIFRRRK 0.27
58 RWWIIRRTK 0.27
59 RWWIIRKSK 0.27
60 RKRIWRRRK 0.27
61 RKRIFRARK 0.27
62 RWWIIRASK 0.28
63 RWFIWRATK 0.28
64 RWWIFRKTK 0.28
65 RWFIWRKTK 0.28
66 RWFIIRRTK 0.29
67 RWRIIRATK 0.29
68 RWFIIRASK 0.29
69 RWWIFRATK 0.29
70 RWWIWRRTK 0.29
71 RWWIWRKSK 0.29
72 RWFIIRKSK 0.29
73 RWRIIRKTK 0.29
74 RWWIWRASK 0.3
75 RKRIFRRRK 0.3
76 RWFIFRKTK 0.3
77 RWFIWRRTK 0.31
78 RWFIWRKSK 0.31
79 RWRIWRKTK 0.31
80 RWWIIRRSK 0.31
81 RWRIWRATK 0.31
82 RWFIFRATK 0.31
83 RWWIFRKSK 0.32
84 RWRIIRRTK 0.32
85 RWWIFRRTK 0.32
86 RWRIIRKSK 0.32
87 RWWIFRASK 0.32
88 RWFIWRASK 0.32
89 RWRIIRASK 0.33
90 RWFIIRRSK 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWFIWRARK

3.92

-7.14

-3.22
2 RWRIWRKRK

2.51

-5.32

-2.81
3 RWFIIRRRK

3.2

-5.99

-2.79
4 RWWIWRARK

3.43

-6.05

-2.62
5 RWRIFRKRK

3.6

-6.07

-2.47
6 RWRIFRARK

3.91

-6.18

-2.27
7 RWWIFRRRK

2.56

-4.77

-2.21
8 RKWIWRKRK

2.49

-4.69

-2.2
9 RWWIWRKRK

3.65

-5.78

-2.13
10 RWRIIRRRK

4.75

-6.88

-2.13
11 RWFIIRKRK

2.26

-4.33

-2.07
12 RWRIIRKRK

2.4

-4.47

-2.07
13 RWWIIRKRK

5.09

-7.15

-2.06
14 RWRIIRARK

2.8

-4.85

-2.05
15 RWWIIRRRK

2.55

-4.59

-2.04
16 RWFIWRRRK

3.54

-5.55

-2.01
17 RWRIWRRRK

2.67

-4.68

-2.01
18 RWFIFRARK

2.72

-4.65

-1.93
19 RWFIIRARK

4.06

-5.97

-1.91
20 RWWIFRARK

2.6

-4.41

-1.81
21 RWWIWRRRK

3.51

-5.3

-1.79
22 RWFIFRKRK

2.59

-4.36

-1.77
23 RWFIFRRRK

2.56

-4.24

-1.68
24 RWFIWRKRK

2.66

-4.28

-1.62
25 RWWIFRKRK

2.84

-4.34

-1.5
26 RKWIIRARK

3.36

-4.59

-1.23
27 RKWIIRKRK

3.36

-4.37

-1.01
28 RWWIIRARK

4.07

-4.64

-0.57
29 RWRIFRRRK

3.49

-3.89

-0.4
30 RWRIWRARK

3.48

-3.63

-0.15

 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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