Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-18.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
G
 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 1.118 ΔGbinding 2.908
TOTAL
 4.026
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.350
Van der Waals -3.335 Backbone clash 1.121
Electrostatics 0.389 Helix dipole 0.000
Solvation Polar 2.730 Water bridges -0.000
Solvation Hyd -5.302 Disulfide 0.000
VdW clashes 4.653 Electrost. Kon 0.516
Entropy sc 0.532 Part.cov.bonds 0.000
Entropy mc

2.377

 ΔGstability

17.368
       

Predicted ligand sequences for model [BBC1_1ZUK2-18.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_1ZUK2-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPPIPPHRAR 0.0
2 WPPIRPHRAR 0.02
3 WPPIPPHRSR 0.06
4 WPPIKPHRAR 0.07
5 WPPIRPHRSR 0.08
6 FPPIPPHRAR 0.09
7 WPPIPPIRAR 0.1
8 FPPIRPHRAR 0.11
9 WPPIRPIRAR 0.12
10 WPPIPPHRWR 0.13
11 WPPIKPHRSR 0.13
12 FPPIPPHRSR 0.14
13 WPPIRPHRWR 0.15
14 WPPIPPIRSR 0.15
15 WPPLPPHRAR 0.15
16 FPPIKPHRAR 0.16
17 WPKIPPHRAR 0.16
18 FPPIRPHRSR 0.16
19 WPPLRPHRAR 0.17
20 WPPIKPIRAR 0.17
21 WPPIRPIRSR 0.18
22 WPKIRPHRAR 0.18
23 FPPIPPIRAR 0.18
24 WPFIPPHRAR 0.19
25 FPPIRPIRAR 0.2
26 WPPIPPWRAR 0.21
27 WPPLPPHRSR 0.21
28 WPPIKPHRWR 0.21
29 WPFIRPHRAR 0.21
30 FPPIKPHRSR 0.22
31 WPKIPPHRSR 0.22
32 WPPLKPHRAR 0.22
33 FPPIPPHRWR 0.22
34 WRPIPPHRAR 0.23
35 WPPLRPHRSR 0.23
36 WPPIPPIRWR 0.23
37 FPPLPPHRAR 0.23
38 WPKIKPHRAR 0.23
39 WPPIRPWRAR 0.23
40 WPPIKPIRSR 0.23
41 FPPIRPHRWR 0.24
42 WPKIRPHRSR 0.24
43 FPPIPPIRSR 0.24
44 FPKIPPHRAR 0.24
45 WPPIRPIRWR 0.25
46 WPPLPPIRAR 0.25
47 WPFIPPHRSR 0.25
48 WPPIPPWRSR 0.26
49 WRPIRPHRAR 0.26
50 FPPIKPIRAR 0.26
51 FPPLRPHRAR 0.26
52 WPKIPPIRAR 0.26
53 FPPIRPIRSR 0.26
54 WPFIKPHRAR 0.27
55 WPPLRPIRAR 0.27
56 FPKIRPHRAR 0.27
57 WPFIRPHRSR 0.27
58 WPKIRPIRAR 0.28
59 WPPIKPWRAR 0.28
60 WPPLKPHRSR 0.28
61 WPPLPPHRWR 0.28
62 WPPIRPWRSR 0.28
63 FPFIPPHRAR 0.28
64 WRPIPPHRSR 0.29
65 FPPIKPHRWR 0.29
66 WPKIKPHRSR 0.29
67 FPPIPPWRAR 0.29
68 FPPLPPHRSR 0.29
69 WPKIPPHRWR 0.29
70 WPFIPPIRAR 0.29
71 WPPLPPIRSR 0.3
72 WPPIKPIRWR 0.3
73 WPPLRPHRWR 0.3
74 FPFIRPHRAR 0.3
75 FPKIPPHRSR 0.3
76 WPKIRPHRWR 0.31
77 FPPLKPHRAR 0.31
78 WRPIRPHRSR 0.31
79 WPFIRPIRAR 0.31
80 FPPLRPHRSR 0.31
81 WRPIKPHRAR 0.31
82 FPPIRPWRAR 0.31
83 WPKLPPHRAR 0.31
84 WPKIPPIRSR 0.31
85 FPPIPPIRWR 0.32
86 FRPIPPHRAR 0.32
87 FPKIRPHRSR 0.32
88 FPPIKPIRSR 0.32
89 FPKIKPHRAR 0.32
90 WPFIKPHRSR 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WPFIRPHRAR

5.11

-8.9

-3.79
2 FPPIKPHRSR

5.46

-8.67

-3.21
3 FPPIPPHRAR

7.98

-9.59

-1.61
4 WPPIKPHRWR

9.69

-11.1

-1.41
5 WPPIRPHRWR

10.09

-11.37

-1.28
6 FPPIRPHRAR

8.46

-9.71

-1.25
7 FPPIKPHRAR

8.24

-9.44

-1.2
8 WPPLRPHRAR

8.38

-9.56

-1.18
9 WPPIRPHRAR

8.13

-9.28

-1.15
10 WPPIPPHRAR

7.76

-8.89

-1.13
11 WPPIKPHRAR

8.75

-9.79

-1.04
12 WPKIRPHRAR

8.35

-9.3

-0.95
13 WPKIPPHRAR

8.11

-8.82

-0.71
14 WPPIPPHRWR

9.97

-10.64

-0.67
15 FPPIRPHRSR

8.35

-8.9

-0.55
16 WPPLPPHRSR

7.91

-8.41

-0.5
17 WPFIPPHRAR

8.33

-8.75

-0.42
18 FPPIPPHRSR

8.25

-8.48

-0.23
19 WPPIKPIRAR

8.63

-8.86

-0.23
20 WPPLPPHRAR

7.87

-8.07

-0.2
21 FPPIRPIRAR

8.8

-8.83

-0.03
22 WPPIKPHRSR

8.45

-8.46

-0.01
23 WPPIRPHRSR

8.4

-8.38

0.02
24 WPPIPPHRSR

8.28

-8.22

0.06
25 FPPIPPIRAR

9.0

-8.86

0.14
26 WPPIPPWRAR

8.05

-7.78

0.27
27 WPPIRPIRAR

8.62

-8.12

0.5
28 WPPIPPIRAR

8.51

-7.86

0.65
29 WPPIPPIRSR

8.55

-7.59

0.96
30 WPPIRPIRSR

8.6

-7.05

1.55

 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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