Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-2.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 3.888 ΔGbinding 1.148
TOTAL
 5.036
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.304
Van der Waals -4.766 Backbone clash 0.041
Electrostatics -0.161 Helix dipole 0.000
Solvation Polar 4.790 Water bridges -0.119
Solvation Hyd -6.762 Disulfide 0.000
VdW clashes 3.612 Electrost. Kon -0.209
Entropy sc 0.942 Part.cov.bonds 0.000
Entropy mc

2.517

 ΔGstability

20.828
       

Predicted ligand sequences for model [BZZ1-D2_2A28-2.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_2A28-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 QKRRKPWDRR 0.0
2 QKRRMPWDRR 0.05
3 QKKRKPWDRR 0.06
4 QKRRRPWDRR 0.07
5 QKKRMPWDRR 0.11
6 QKKRRPWDRR 0.14
7 QKRRKPHDRR 0.18
8 KKRRKPWDRR 0.18
9 QKRRKPWKRR 0.18
10 QKRRKPWRRR 0.21
11 QKPRKPWDRR 0.21
12 QKRRMPWKRR 0.23
13 KKRRMPWDRR 0.23
14 QKRRMPHDRR 0.23
15 QKKRKPWKRR 0.24
16 KKKRKPWDRR 0.24
17 QKKRKPHDRR 0.25
18 KKRRRPWDRR 0.25
19 QKRRRPWKRR 0.25
20 QKRRRPHDRR 0.26
21 QKPRMPWDRR 0.26
22 QKRRMPWRRR 0.26
23 QKKRKPWRRR 0.27
24 QKPRRPWDRR 0.28
25 QKRRRPWRRR 0.28
26 QKKRMPWKRR 0.29
27 KKKRMPWDRR 0.29
28 QKKRMPHDRR 0.3
29 QKKRRPWKRR 0.32
30 KKKRRPWDRR 0.32
31 QKKRMPWRRR 0.32
32 QKKRRPHDRR 0.32
33 QKRRKPWDDR 0.33
34 QKKRRPWRRR 0.35
35 QKRRKPHKRR 0.36
36 KKRRKPWKRR 0.36
37 KKRRKPHDRR 0.36
38 QKRRMPWDDR 0.38
39 KKPRKPWDRR 0.39
40 KKRRKPWRRR 0.39
41 QKPRKPWKRR 0.39
42 QKPRKPHDRR 0.39
43 QKRRKPHRRR 0.39
44 QKKRKPWDDR 0.4
45 QKRRRPWDDR 0.41
46 QKRRMPHKRR 0.41
47 KKRRMPHDRR 0.41
48 KKRRMPWKRR 0.41
49 QKPRKPWRRR 0.42
50 KKKRKPWKRR 0.42
51 KKKRKPHDRR 0.42
52 QKKRKPHKRR 0.43
53 KKRRRPWKRR 0.43
54 KKRRRPHDRR 0.43
55 QKPRMPWKRR 0.44
56 KKPRMPWDRR 0.44
57 KKRRMPWRRR 0.44
58 QKRRRPHKRR 0.44
59 QKRRMPHRRR 0.44
60 QKPRMPHDRR 0.44
61 KKKRKPWRRR 0.45
62 QKKRMPWDDR 0.45
63 QKKRKPHRRR 0.46
64 QKPRRPWKRR 0.46
65 KKRRRPWRRR 0.46
66 KKPRRPWDRR 0.46
67 QKKRRPWDDR 0.47
68 KKKRMPWKRR 0.47
69 KKKRMPHDRR 0.47
70 QKRRRPHRRR 0.47
71 QKPRMPWRRR 0.47
72 QKPRRPHDRR 0.47
73 QKKRMPHKRR 0.48
74 QKPRRPWRRR 0.49
75 QKKRRPHKRR 0.5
76 KKKRMPWRRR 0.5
77 KKKRRPWKRR 0.5
78 KKKRRPHDRR 0.5
79 QKRRKPWKDR 0.51
80 QKKRMPHRRR 0.51
81 KKRRKPWDDR 0.51
82 QKRRKPHDDR 0.52
83 KKKRRPWRRR 0.53
84 QKKRRPHRRR 0.53
85 QKRRKPWRDR 0.54
86 QKPRKPWDDR 0.54
87 KKRRKPHKRR 0.54
88 QKRRMPWKDR 0.56
89 KKRRMPWDDR 0.56
90 KKPRKPHDRR 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KKKRRPWDRR

2.66

-7.51

-4.85
2 QKRRRPWKRR

2.97

-7.61

-4.64
3 QKRRMPWDRR

2.6

-7.18

-4.58
4 QKRRKPWDRR

3.23

-7.69

-4.46
5 QKRRKPHDRR

2.63

-7.0

-4.37
6 KKRRMPWDRR

3.01

-7.38

-4.37
7 QKRRMPHDRR

2.81

-7.05

-4.24
8 KKRRKPWDRR

3.24

-7.48

-4.24
9 KKRRRPWDRR

2.19

-6.43

-4.24
10 QKPRMPWDRR

2.35

-6.52

-4.17
11 KKKRMPWDRR

2.67

-6.69

-4.02
12 QKRRRPWDRR

3.2

-7.22

-4.02
13 QKRRMPWRRR

2.36

-6.37

-4.01
14 QKRRRPWRRR

2.17

-6.11

-3.94
15 QKRRRPHDRR

3.39

-7.27

-3.88
16 QKKRRPWDRR

2.71

-6.28

-3.57
17 QKPRKPWDRR

2.89

-6.38

-3.49
18 QKKRKPWRRR

3.37

-6.79

-3.42
19 QKKRRPWKRR

3.01

-6.42

-3.41
20 QKRRKPWRRR

3.63

-6.93

-3.3
21 QKRRMPWKRR

3.06

-6.33

-3.27
22 QKKRMPHDRR

2.88

-6.03

-3.15
23 QKRRKPWKRR

1.9

-4.8

-2.9
24 QKKRKPWKRR

2.48

-5.3

-2.82
25 QKKRKPWDRR

2.33

-5.11

-2.78
26 QKKRKPHDRR

3.26

-5.94

-2.68
27 KKKRKPWDRR

2.46

-4.98

-2.52
28 QKPRRPWDRR

2.51

-4.88

-2.37
29 QKKRMPWDRR

2.3

-4.52

-2.22
30 QKKRMPWKRR

5.8

-4.26

1.54

 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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