Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-4.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 3.331 ΔGbinding 1.214
TOTAL
 4.545
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.414
Van der Waals -4.974 Backbone clash 0.043
Electrostatics -0.153 Helix dipole 0.000
Solvation Polar 4.910 Water bridges -0.130
Solvation Hyd -7.087 Disulfide 0.000
VdW clashes 3.870 Electrost. Kon -0.198
Entropy sc 0.886 Part.cov.bonds 0.000
Entropy mc

2.675

 ΔGstability

21.688
       

Predicted ligand sequences for model [BZZ1-D2_2A28-4.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_2A28-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRPRRFWRRR 0.0
2 YRPRRFWDRR 0.02
3 YRPRRFWPRR 0.02
4 YRPRKFWRRR 0.06
5 YRPRKFWDRR 0.08
6 YRPRKFWPRR 0.08
7 YKPRRFWRRR 0.09
8 YKPRRFWPRR 0.11
9 YKPRRFWDRR 0.11
10 YKPRKFWRRR 0.15
11 YRRRRFWRRR 0.15
12 YRPRRFWRRM 0.16
13 YKPRKFWDRR 0.17
14 YRRRRFWPRR 0.17
15 YRRRRFWDRR 0.17
16 YKPRKFWPRR 0.17
17 YRPRRFWDRM 0.18
18 YRPRRFWPRM 0.18
19 YRRRKFWRRR 0.21
20 YRKRRFWRRR 0.22
21 YRPRKFWRRM 0.22
22 YRRRKFWDRR 0.23
23 YRPRKFWDRM 0.24
24 YRPRKFWPRM 0.24
25 YRKRRFWPRR 0.24
26 YRKRRFWDRR 0.24
27 YKRRRFWRRR 0.24
28 YRRRKFWPRR 0.24
29 YRPRRFWRRP 0.25
30 YKPRRFWRRM 0.25
31 YKRRRFWDRR 0.26
32 YKRRRFWPRR 0.26
33 YKPRRFWPRM 0.27
34 YKPRRFWDRM 0.27
35 YRPRRFWDRP 0.27
36 YRPRRFWPRP 0.27
37 YRPRMFWRRR 0.28
38 YRKRKFWRRR 0.29
39 YKRRKFWRRR 0.3
40 YRPRMFWDRR 0.3
41 YRKRKFWPRR 0.31
42 YKKRRFWRRR 0.31
43 YKPRKFWRRM 0.31
44 YRPRKFWRRP 0.31
45 RRPRRFWRRR 0.31
46 YRPRMFWPRR 0.31
47 YRKRKFWDRR 0.31
48 YRRRRFWRRM 0.31
49 YKRRKFWDRR 0.32
50 YKPRKFWDRM 0.33
51 YRPRKFWDRP 0.33
52 YRPRKFWPRP 0.33
53 YRRRRFWPRM 0.33
54 YKRRKFWPRR 0.33
55 YRRRRFWDRM 0.33
56 YKKRRFWDRR 0.33
57 RRPRRFWDRR 0.33
58 YKPRKFWPRM 0.33
59 YKKRRFWPRR 0.34
60 YKPRRFWRRP 0.34
61 RRPRRFWPRR 0.34
62 YRPRRFWRNR 0.35
63 YKPRRFWPRP 0.36
64 YKPRRFWDRP 0.36
65 YWPRRFWRRR 0.37
66 YKPRMFWRRR 0.37
67 YRRRKFWRRM 0.37
68 YRKRRFWRRM 0.38
69 YRPRRFWDNR 0.38
70 YKKRKFWRRR 0.38
71 RRPRKFWRRR 0.38
72 YRPRRFWPNR 0.38
73 YWPRRFWDRR 0.39
74 YRRRKFWPRM 0.39
75 YKPRMFWDRR 0.39
76 YWPRRFWPRR 0.39
77 YRRRKFWDRM 0.39
78 YKKRKFWDRR 0.4
79 YKKRKFWPRR 0.4
80 YRKRRFWPRM 0.4
81 YKPRKFWRRP 0.4
82 YRKRRFWDRM 0.4
83 RRPRKFWPRR 0.4
84 YKRRRFWRRM 0.4
85 YKPRMFWPRR 0.4
86 RRPRKFWDRR 0.4
87 YRRRRFWRRP 0.4
88 RKPRRFWRRR 0.4
89 YKPRKFWDRP 0.42
90 YRRRRFWPRP 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YRPRRFWRRP

2.86

-8.67

-5.81
2 YRRRKFWRRR

3.24

-9.02

-5.78
3 YRPRRFWPRR

3.73

-9.42

-5.69
4 YRPRRFWDRM

3.23

-8.86

-5.63
5 YKRRRFWRRR

2.81

-8.03

-5.22
6 YRRRKFWPRR

3.77

-8.79

-5.02
7 YRRRRFWDRR

3.44

-7.75

-4.31
8 YKPRRFWPRR

3.1

-7.35

-4.25
9 YRRRRFWPRR

2.59

-6.81

-4.22
10 YRKRRFWPRR

3.05

-7.13

-4.08
11 YRPRKFWPRR

3.63

-7.67

-4.04
12 YRKRRFWDRR

3.75

-7.78

-4.03
13 YKPRKFWPRR

2.66

-6.64

-3.98
14 YRPRKFWDRR

3.56

-7.48

-3.92
15 YRPRKFWRRM

3.13

-6.99

-3.86
16 YRRRRFWRRR

3.67

-7.53

-3.86
17 YRPRRFWRRR

3.56

-7.42

-3.86
18 YRPRKFWPRM

3.19

-6.91

-3.72
19 YRRRKFWDRR

4.18

-7.84

-3.66
20 YRPRRFWRRM

2.69

-6.35

-3.66
21 YKPRKFWDRR

3.22

-6.73

-3.51
22 YRPRRFWPRM

3.24

-6.59

-3.35
23 YRKRRFWRRR

3.32

-6.66

-3.34
24 YRPRKFWRRR

3.37

-6.67

-3.3
25 YKPRRFWRRM

3.4

-6.6

-3.2
26 YRPRRFWDRR

3.3

-6.37

-3.07
27 YRPRKFWDRM

3.43

-6.17

-2.74
28 YKPRRFWDRR

2.97

-5.7

-2.73
29 YKPRKFWRRR

2.78

-5.45

-2.67
30 YKPRRFWRRR

3.38

-5.32

-1.94

 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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