Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-27.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
 G
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 1.199 ΔGbinding -6.214
TOTAL
 -5.015
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.167
Van der Waals -4.059 Backbone clash 0.051
Electrostatics -0.581 Helix dipole 0.000
Solvation Polar 4.524 Water bridges -0.097
Solvation Hyd -5.678 Disulfide 0.000
VdW clashes 0.264 Electrost. Kon -0.667
Entropy sc 0.845 Part.cov.bonds 0.000
Entropy mc

1.617

 ΔGstability

6.190
       

Predicted ligand sequences for model [BBC1_1ZUK2-27.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).
 
  BBC1_1ZUK2-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKRPPIWR 0.0
2 RRKRPPIWK 0.01
3 RRHRPPIWR 0.12
4 RRHRPPIWK 0.12
5 RRKRPPIWW 0.19
6 RRKRPKIWR 0.2
7 RRKRPKIWK 0.21
8 RRKRIPIWR 0.26
9 RRKRIPIWK 0.26
10 RRKRPLIWK 0.26
11 RRKRPLIWR 0.26
12 RKKRPPIWR 0.28
13 RKKRPPIWK 0.29
14 RRHRPPIWW 0.31
15 RRHRPKIWR 0.32
16 RRHRPKIWK 0.33
17 RRHRPLIWR 0.37
18 RRHRIPIWR 0.37
19 RRHRPLIWK 0.38
20 RRHRIPIWK 0.38
21 RHKRPPIWR 0.39
22 RKHRPPIWR 0.4
23 RRKRPKIWW 0.4
24 RHKRPPIWK 0.4
25 RKHRPPIWK 0.41
26 RRKRPLIWW 0.45
27 RRKRIPIWW 0.45
28 RRKRIKIWR 0.46
29 RRKRIKIWK 0.47
30 RKKRPPIWW 0.48
31 RKKRPKIWR 0.49
32 RKKRPKIWK 0.49
33 RHHRPPIWR 0.5
34 RHHRPPIWK 0.51
35 RRKRILIWR 0.51
36 RRHRPKIWW 0.51
37 RRKRILIWK 0.52
38 RKKRPLIWR 0.54
39 RKKRIPIWR 0.54
40 RKKRPLIWK 0.55
41 RKKRIPIWK 0.55
42 RRHRIPIWW 0.56
43 RRHRPLIWW 0.56
44 RRHRIKIWR 0.57
45 RHKRPPIWW 0.58
46 RRHRIKIWK 0.58
47 RKHRPPIWW 0.59
48 RHKRPKIWR 0.59
49 RKHRPKIWR 0.6
50 RHKRPKIWK 0.6
51 RKHRPKIWK 0.61
52 RRHRILIWR 0.63
53 RHKRPLIWR 0.64
54 RHKRIPIWR 0.64
55 RRHRILIWK 0.64
56 RHKRPLIWK 0.65
57 RHKRIPIWK 0.65
58 RRKRIKIWW 0.65
59 RKHRIPIWK 0.66
60 RKHRIPIWR 0.66
61 RKHRPLIWR 0.66
62 RKHRPLIWK 0.66
63 RKKRPKIWW 0.68
64 RHHRPPIWW 0.7
65 RRKRILIWW 0.7
66 RHHRPKIWK 0.71
67 RHHRPKIWR 0.71
68 RKKRPLIWW 0.73
69 RKKRIPIWW 0.73
70 RKKRIKIWR 0.74
71 RKKRIKIWK 0.75
72 RHHRIPIWR 0.76
73 RHHRPLIWR 0.76
74 RHHRPLIWK 0.77
75 RHHRIPIWK 0.77
76 RRHRIKIWW 0.77
77 RHKRPKIWW 0.78
78 RKKRILIWR 0.79
79 RKKRILIWK 0.8
80 RKHRPKIWW 0.8
81 RRHRILIWW 0.82
82 RHKRPLIWW 0.83
83 RHKRIPIWW 0.83
84 RHKRIKIWR 0.84
85 RHKRIKIWK 0.85
86 RKHRIPIWW 0.85
87 RKHRPLIWW 0.85
88 RKHRIKIWR 0.86
89 RKHRIKIWK 0.87
90 RHHRPKIWW 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRKRPLIWW

4.04

-13.71

-9.67
2 RRHRPPIWW

2.82

-11.92

-9.1
3 RRKRPPIWK

4.32

-13.1

-8.78
4 RRHRPPIWK

3.26

-11.45

-8.19
5 RRHRPLIWK

3.46

-11.61

-8.15
6 RKHRPPIWK

3.3

-11.37

-8.07
7 RRHRPKIWK

3.98

-12.02

-8.04
8 RRHRPPIWR

4.41

-12.36

-7.95
9 RRKRPLIWR

2.6

-10.49

-7.89
10 RRKRPKIWR

3.55

-11.43

-7.88
11 RRKRPPIWR

4.53

-12.34

-7.81
12 RRKRIPIWR

3.01

-10.71

-7.7
13 RKKRPPIWK

2.78

-10.35

-7.57
14 RRKRPPIWW

3.73

-11.24

-7.51
15 RRHRIPIWK

3.66

-11.16

-7.5
16 RRKRPKIWK

3.56

-10.92

-7.36
17 RRKRPKIWW

5.48

-12.48

-7.0
18 RRHRPKIWR

2.66

-9.35

-6.69
19 RRHRPLIWR

3.35

-9.99

-6.64
20 RHKRPPIWK

2.95

-9.38

-6.43
21 RRKRIKIWR

4.62

-11.04

-6.42
22 RRKRIKIWK

4.62

-11.02

-6.4
23 RKKRPPIWR

4.1

-10.24

-6.14
24 RKKRPPIWW

3.35

-9.35

-6.0
25 RRKRPLIWK

4.67

-10.47

-5.8
26 RKHRPPIWR

3.71

-9.41

-5.7
27 RRKRIPIWK

5.75

-11.39

-5.64
28 RRHRIPIWR

5.71

-10.87

-5.16
29 RRKRIPIWW

3.57

-8.42

-4.85
30 RHKRPPIWR

4.84

-8.83

-3.99

 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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