Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-28.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 1.084 ΔGbinding -2.366
TOTAL
 -1.282
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.202
Van der Waals -4.444 Backbone clash 0.110
Electrostatics 0.840 Helix dipole 0.000
Solvation Polar 4.756 Water bridges -0.054
Solvation Hyd -6.909 Disulfide 0.000
VdW clashes 0.571 Electrost. Kon 0.988
Entropy sc 0.647 Part.cov.bonds 0.000
Entropy mc

2.312

 ΔGstability

11.765
       

Predicted ligand sequences for model [BBC1_1ZUK2-28.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_1ZUK2-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRIHRKPKW 0.0
2 RPRIHRKPRW 0.01
3 RPRIHRKRKW 0.03
4 RPRIHRKRRW 0.04
5 RPRIHKKPKW 0.08
6 RPRIHKKPRW 0.09
7 RPRIHKKRKW 0.11
8 RPRIHRKKKW 0.12
9 RPRIHKKRRW 0.12
10 RPRIHRKKRW 0.13
11 RPRIHRKPKY 0.14
12 RPRIHRKPRY 0.16
13 RPPIHRKPKW 0.16
14 RPRIHRKRKY 0.17
15 IPRIHRKPKW 0.17
16 RPPIHRKPRW 0.18
17 RPRIHRKRRY 0.19
18 RPPIHRKRKW 0.19
19 IPRIHRKPRW 0.19
20 RDRIHRKPKW 0.2
21 RPHIHRKPKW 0.2
22 IPRIHRKRKW 0.2
23 RPRIHKKKKW 0.2
24 RPHIHRKPRW 0.21
25 RPPIHRKRRW 0.21
26 RDRIHRKPRW 0.21
27 RPRIHKKKRW 0.21
28 RPHIHRKRKW 0.22
29 RPRIHKKPKY 0.22
30 RPRIHRKPKI 0.22
31 IPRIHRKRRW 0.22
32 RDRIHRKRKW 0.23
33 RPRIHKKPRY 0.24
34 RDRIHRKRRW 0.24
35 RPRIHRKPRI 0.24
36 RPHIHRKRRW 0.24
37 RPPIHKKPKW 0.24
38 RPRIHKKRKY 0.25
39 RPRIHRKRKI 0.25
40 IPRIHKKPKW 0.25
41 RPRIHPKPKW 0.26
42 RPRIHRKRRI 0.26
43 RPRIHRKKKY 0.26
44 RPPIHKKPRW 0.26
45 IPRIHKKPRW 0.27
46 RPHIHKKPKW 0.27
47 RPPIHKKRKW 0.27
48 RPRIHKKRRY 0.27
49 RPRIHPKPRW 0.28
50 RDRIHKKPKW 0.28
51 RPRIHRKKRY 0.28
52 RPPIHRKKKW 0.28
53 IPRIHKKRKW 0.28
54 IPRIHKKRRW 0.29
55 RPPIHKKRRW 0.29
56 RPHIHKKPRW 0.29
57 RPRIHPKRKW 0.29
58 IPRIHRKKKW 0.29
59 RDRIHKKPRW 0.29
60 RPRIHPKRRW 0.3
61 RPHIHKKRKW 0.3
62 RPPIHRKKRW 0.3
63 IPRIHRKKRW 0.3
64 RPRIHKKPKI 0.3
65 RPRIHKKPRI 0.31
66 RDRIHKKRKW 0.31
67 RPHIHRKKKW 0.31
68 RPPIHRKPKY 0.31
69 RPPIHRKPRY 0.32
70 IPRIHRKPKY 0.32
71 RPHIHKKRRW 0.32
72 RDRIHRKKKW 0.32
73 RDRIHKKRRW 0.32
74 RPRIHKKRKI 0.33
75 RDRIHRKKRW 0.33
76 RPRIHRKPLW 0.33
77 IPRIHRKPRY 0.33
78 RPHIHRKKRW 0.33
79 RDRIHRKPKY 0.34
80 RPHIHRKPKY 0.34
81 RPRIHRKKKI 0.34
82 RPPIHRKRKY 0.34
83 IPPIHRKPKW 0.34
84 RPRIHKKRRI 0.34
85 RPRIHKKKKY 0.34
86 IPPIHRKPRW 0.35
87 RPRIHKKKRY 0.35
88 RPHIHRKPRY 0.35
89 RPPIHRKRRY 0.35
90 IPRIHRKRKY 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRIHRKRRY

1.97

-12.14

-10.17
2 RPRIHRKRRW

2.47

-12.23

-9.76
3 IPRIHRKPKW

3.21

-12.39

-9.18
4 RPRIHRKPKY

3.05

-12.13

-9.08
5 RPRIHKKPKW

2.78

-11.76

-8.98
6 RPRIHRKRKW

2.87

-11.85

-8.98
7 RPRIHRKRKY

2.87

-11.73

-8.86
8 RPRIHKKPKY

3.04

-11.83

-8.79
9 IPRIHRKRKW

3.07

-11.86

-8.79
10 RPRIHKKRRW

3.36

-12.11

-8.75
11 RPPIHRKPRW

3.03

-11.78

-8.75
12 RPRIHKKRKW

2.91

-11.65

-8.74
13 RPRIHRKKKW

2.98

-11.7

-8.72
14 RPRIHRKKRW

2.91

-11.62

-8.71
15 RPHIHRKPRW

3.06

-11.62

-8.56
16 RPRIHRKPKI

3.15

-11.58

-8.43
17 RPRIHRKPKW

3.32

-11.69

-8.37
18 RPPIHRKRKW

2.98

-11.21

-8.23
19 RPHIHRKRKW

3.04

-11.21

-8.17
20 RPHIHRKPKW

3.31

-11.4

-8.09
21 RPRIHKKKRW

2.99

-11.01

-8.02
22 RPRIHKKPRW

3.93

-11.94

-8.01
23 RPRIHKKKKW

3.31

-11.27

-7.96
24 RPRIHRKPRY

4.03

-11.89

-7.86
25 RPRIHRKPRW

3.11

-10.93

-7.82
26 RPPIHRKRRW

3.94

-11.72

-7.78
27 IPRIHRKPRW

3.18

-10.75

-7.57
28 RDRIHRKPRW

3.2

-10.46

-7.26
29 RPPIHRKPKW

4.96

-12.0

-7.04
30 RDRIHRKPKW

3.1

-9.87

-6.77

 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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