Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK3-18.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 2.200 ΔGbinding 3.179
TOTAL
 5.379
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.641
Van der Waals -3.974 Backbone clash 1.375
Electrostatics 0.417 Helix dipole 0.000
Solvation Polar 3.488 Water bridges -0.043
Solvation Hyd -6.095 Disulfide 0.000
VdW clashes 4.640 Electrost. Kon 0.566
Entropy sc 0.524 Part.cov.bonds 0.000
Entropy mc

3.015

 ΔGstability

14.588
       

Predicted ligand sequences for model [BBC1_1ZUK3-18.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_1ZUK3-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPITSIKGK 0.0
2 FPPLTSIKGK 0.01
3 FPKITSIKGK 0.04
4 FPKLTSIKGK 0.05
5 WPPITSIKGK 0.05
6 FPFITSIKGK 0.06
7 WPPLTSIKGK 0.06
8 FPFLTSIKGK 0.07
9 FPPITSIFGK 0.08
10 FPPLTSIFGK 0.09
11 WPKITSIKGK 0.09
12 WPKLTSIKGK 0.1
13 WPFITSIKGK 0.11
14 FPKITSIFGK 0.12
15 WPFLTSIKGK 0.12
16 FPKLTSIFGK 0.13
17 WPPITSIFGK 0.13
18 WPPLTSIFGK 0.14
19 FPFITSIFGK 0.15
20 FPPITSIKGH 0.15
21 FPFLTSIFGK 0.16
22 FPPLTSIKGH 0.16
23 WPKITSIFGK 0.17
24 WPKLTSIFGK 0.18
25 FPKITSIKGH 0.19
26 FPKLTSIKGH 0.2
27 WPPITSIKGH 0.2
28 WPFITSIFGK 0.2
29 WPFLTSIFGK 0.21
30 WPPLTSIKGH 0.21
31 FPPITSIKGR 0.21
32 FPFITSIKGH 0.22
33 FPPLTSIKGR 0.22
34 FPFLTSIKGH 0.23
35 FPPITSIFGH 0.24
36 WPKITSIKGH 0.24
37 FPKITSIKGR 0.25
38 FPPLTSIFGH 0.25
39 WPKLTSIKGH 0.25
40 FPKLTSIKGR 0.26
41 FPPITSIRGK 0.26
42 WPPITSIKGR 0.26
43 FPPITGIKGK 0.26
44 FPPLTGIKGK 0.27
45 FPPLTSIRGK 0.27
46 WPFITSIKGH 0.27
47 WPPLTSIKGR 0.27
48 FPKITSIFGH 0.28
49 WPFLTSIKGH 0.28
50 FPFITSIKGR 0.28
51 FPFLTSIKGR 0.28
52 FPKLTSIFGH 0.29
53 FPKITGIKGK 0.29
54 WPPITSIFGH 0.29
55 FPPITSIFGR 0.29
56 WPPLTSIFGH 0.3
57 FPKLTGIKGK 0.3
58 FPFITSIFGH 0.3
59 WPPITGIKGK 0.3
60 FPKITSIRGK 0.3
61 WPKITSIKGR 0.3
62 FPPLTSIFGR 0.3
63 WPPITSIRGK 0.31
64 FPKLTSIRGK 0.31
65 FPFLTSIFGH 0.31
66 WPKLTSIKGR 0.31
67 WPKITSIFGH 0.32
68 WPPLTGIKGK 0.32
69 FPFITGIKGK 0.32
70 WPPLTSIRGK 0.32
71 FPFITSIRGK 0.32
72 FPKITSIFGR 0.33
73 WPFITSIKGR 0.33
74 WPFLTSIKGR 0.33
75 WPKLTSIFGH 0.33
76 FPFLTSIRGK 0.33
77 FPFLTGIKGK 0.33
78 FPKLTSIFGR 0.34
79 WPKITGIKGK 0.34
80 FPPITGIFGK 0.34
81 WPPITSIFGR 0.34
82 WPPLTSIFGR 0.35
83 WPKITSIRGK 0.35
84 WPFITSIFGH 0.35
85 FPPLTGIFGK 0.35
86 WPKLTGIKGK 0.35
87 WPKLTSIRGK 0.36
88 WPFLTSIFGH 0.36
89 FPFITSIFGR 0.36
90 FPFLTSIFGR 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPKLTSIKGK

3.18

-7.3

-4.12
2 FPPLTSIFGK

2.74

-6.79

-4.05
3 FPFITSIKGK

3.32

-7.19

-3.87
4 FPPLTSIKGK

3.15

-7.01

-3.86
5 FPKLTSIKGH

3.31

-7.12

-3.81
6 FPKITSIKGK

3.25

-7.05

-3.8
7 WPPLTSIFGK

2.79

-6.23

-3.44
8 FPPLTSIKGH

3.56

-6.98

-3.42
9 FPFLTSIKGK

3.3

-6.71

-3.41
10 WPFLTSIKGK

3.29

-6.67

-3.38
11 FPFLTSIFGK

3.66

-6.96

-3.3
12 WPPLTSIKGH

3.45

-6.72

-3.27
13 FPFITSIFGK

3.59

-6.85

-3.26
14 WPPLTSIKGK

3.29

-6.51

-3.22
15 FPKITSIKGH

3.41

-6.58

-3.17
16 WPPITSIKGH

3.26

-6.36

-3.1
17 FPPITSIKGK

3.39

-6.42

-3.03
18 FPPITSIFGK

2.85

-5.84

-2.99
19 FPPITSIKGH

3.45

-6.39

-2.94
20 WPPITSIKGK

3.28

-6.12

-2.84
21 FPKITSIFGK

3.32

-6.08

-2.76
22 WPKLTSIFGK

4.08

-6.7

-2.62
23 WPFLTSIFGK

3.91

-6.43

-2.52
24 FPKLTSIFGK

4.11

-6.55

-2.44
25 WPFITSIKGK

3.46

-5.69

-2.23
26 WPFITSIFGK

3.63

-5.81

-2.18
27 WPKLTSIKGK

3.37

-5.49

-2.12
28 WPKITSIKGK

3.59

-5.62

-2.03
29 WPKITSIFGK

3.51

-5.41

-1.9
30 WPPITSIFGK

3.5

-5.34

-1.84

 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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