Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-15.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 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 1.796 ΔGbinding -0.783
TOTAL
 1.013
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.495
Van der Waals -2.887 Backbone clash 0.113
Electrostatics 0.399 Helix dipole 0.000
Solvation Polar 2.948 Water bridges -0.076
Solvation Hyd -4.167 Disulfide 0.000
VdW clashes 0.021 Electrost. Kon 0.509
Entropy sc 0.484 Part.cov.bonds 0.000
Entropy mc

2.767

 ΔGstability

16.177
       

Predicted ligand sequences for model [LSB3_1OOT-15.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).
 
  LSB3_1OOT-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFWIIRKIR 0.0
2 RFFIIRKIR 0.0
3 FFFIIRKIR 0.02
4 FFWIIRKIR 0.02
5 RFFIIRLIR 0.03
6 RFWIIRLIR 0.04
7 RFWIIRRIR 0.04
8 RFFIIRRIR 0.04
9 FFFIIRLIR 0.05
10 FFWIIRLIR 0.06
11 FFFIIRRIR 0.06
12 FFWIIRRIR 0.07
13 RYFIIRKIR 0.07
14 RYWIIRKIR 0.07
15 RFPIIRKIR 0.08
16 FYFIIRKIR 0.09
17 FYWIIRKIR 0.1
18 FFPIIRKIR 0.1
19 RYFIIRLIR 0.1
20 RYWIIRLIR 0.11
21 RYFIIRRIR 0.11
22 RFPIIRLIR 0.11
23 RYWIIRRIR 0.11
24 RFPIIRRIR 0.12
25 RFFKIRKIR 0.12
26 FYFIIRLIR 0.13
27 RFWKIRKIR 0.13
28 FYFIIRRIR 0.13
29 FYWIIRLIR 0.13
30 FYWIIRRIR 0.14
31 FFFKIRKIR 0.14
32 FFPIIRLIR 0.14
33 FFPIIRRIR 0.14
34 RYPIIRKIR 0.15
35 FFWKIRKIR 0.15
36 RFFKIRLIR 0.15
37 RFWKIRLIR 0.16
38 RFFKIRRIR 0.16
39 RFWKIRRIR 0.17
40 FYPIIRKIR 0.18
41 FFFKIRRIR 0.18
42 FFFKIRLIR 0.18
43 FFWKIRLIR 0.18
44 FFWKIRRIR 0.19
45 RYPIIRRIR 0.19
46 RYPIIRLIR 0.19
47 RYFKIRKIR 0.2
48 RYWKIRKIR 0.2
49 RFPKIRKIR 0.21
50 FYPIIRLIR 0.21
51 FYWKIRKIR 0.22
52 FYPIIRRIR 0.22
53 FYFKIRKIR 0.22
54 FFPKIRKIR 0.23
55 RFFIWRKIR 0.23
56 RFWIWRKIR 0.23
57 RYWKIRLIR 0.23
58 RYFKIRLIR 0.23
59 RYWKIRRIR 0.24
60 RFPKIRLIR 0.24
61 RYFKIRRIR 0.24
62 FFFIWRKIR 0.25
63 FYFKIRLIR 0.25
64 FYWKIRLIR 0.25
65 RFPKIRRIR 0.25
66 FFWIWRKIR 0.25
67 FFPKIRLIR 0.26
68 FYWKIRRIR 0.26
69 RFWIWRLIR 0.26
70 RFFIWRLIR 0.26
71 FYFKIRRIR 0.26
72 FFPKIRRIR 0.27
73 RFWVIRKIR 0.27
74 RFFIKRKIR 0.27
75 RFFVIRKIR 0.27
76 RFFIWRRIR 0.27
77 RFWIWRRIR 0.27
78 RFWIKRKIR 0.28
79 FFFIWRLIR 0.28
80 RYPKIRKIR 0.28
81 FFFVIRKIR 0.29
82 FFFIWRRIR 0.29
83 FFWIWRLIR 0.29
84 FFWIWRRIR 0.29
85 FFWVIRKIR 0.29
86 FFFIKRKIR 0.29
87 RFFIIRKRR 0.3
88 FFWIKRKIR 0.3
89 RFFIKRLIR 0.3
90 RFWVIRLIR 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFPIIRKIR

1.44

-13.56

-12.12
2 FFFIIRRIR

1.33

-11.33

-10.0
3 FYWIIRKIR

1.38

-11.31

-9.93
4 FYWIIRRIR

1.52

-11.38

-9.86
5 RFWIIRRIR

2.21

-12.04

-9.83
6 FFWIIRLIR

2.99

-12.73

-9.74
7 RYFIIRKIR

2.53

-12.27

-9.74
8 RYFIIRRIR

2.54

-12.26

-9.72
9 FYFIIRKIR

1.44

-11.09

-9.65
10 RYWIIRLIR

1.6

-11.05

-9.45
11 FFWIIRKIR

1.93

-11.31

-9.38
12 RFFIIRLIR

1.31

-10.69

-9.38
13 RFFIIRRIR

1.46

-10.78

-9.32
14 FFWIIRRIR

1.89

-11.19

-9.3
15 RYFIIRLIR

2.34

-11.61

-9.27
16 FFFIIRLIR

1.68

-10.92

-9.24
17 RYWIIRKIR

1.69

-10.87

-9.18
18 RYWIIRRIR

2.31

-11.3

-8.99
19 RFWIIRKIR

2.05

-10.71

-8.66
20 FFPIIRKIR

1.27

-9.9

-8.63
21 FYWIIRLIR

2.38

-10.81

-8.43
22 RFPIIRRIR

1.4

-9.46

-8.06
23 RFPIIRLIR

1.12

-9.15

-8.03
24 FYFIIRLIR

2.67

-10.56

-7.89
25 FFFIIRKIR

1.57

-8.74

-7.17
26 FYFIIRRIR

1.88

-8.64

-6.76
27 RFFIIRKIR

2.84

-9.39

-6.55
28 RFWIIRLIR

3.54

-10.09

-6.55
29 RFFKIRKIR

1.58

-7.68

-6.1
30 RFWKIRKIR

2.85

-8.92

-6.07

 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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