Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-10.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.743 ΔGbinding 1.620
TOTAL
 3.363
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.746
Van der Waals -3.429 Backbone clash 0.482
Electrostatics 0.120 Helix dipole 0.000
Solvation Polar 3.768 Water bridges -0.005
Solvation Hyd -4.471 Disulfide 0.000
VdW clashes 3.877 Electrost. Kon 0.104
Entropy sc 0.450 Part.cov.bonds 0.000
Entropy mc

1.735

 ΔGstability

18.546
       

Predicted ligand sequences for model [BZZ1-D2_2A28-10.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).
 
  BZZ1-D2_2A28-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRIGWKK 0.0
2 RPRIGWKR 0.0
3 RPKIGWKK 0.01
4 RPKIGWKR 0.01
5 RPKIGPKR 0.03
6 RPRIGPKR 0.03
7 RPRIGPKK 0.03
8 RPKIGPKK 0.04
9 RPRIGRKR 0.1
10 RPKIGRKK 0.11
11 RPKIGRKR 0.11
12 RPRIGRKK 0.11
13 RPWIGWKR 0.12
14 RPWIGWKK 0.13
15 RPRIGWHK 0.14
16 RPRIGWHR 0.14
17 RPKIGWHR 0.15
18 RPWIGPKR 0.15
19 RPWIGPKK 0.15
20 RPKIGWHK 0.15
21 RPRIGPHR 0.16
22 RPRIGWKP 0.16
23 RPRIGPHK 0.16
24 RPRRGWKR 0.16
25 RPRRGWKK 0.16
26 RPRIGWMK 0.16
27 RPRIGWMR 0.16
28 RPKRGWKR 0.17
29 RPKRGWKK 0.17
30 RPKIGPHR 0.17
31 RPKIGPHK 0.17
32 RPKIGWMR 0.17
33 RPKIGWMK 0.17
34 RPKIGWKP 0.17
35 RPRRGPKK 0.18
36 RPRRGPKR 0.18
37 RPRIGPMR 0.18
38 RPKRGPKR 0.19
39 RPKIGPMR 0.19
40 RPRIGPMK 0.19
41 RPRIGPKP 0.19
42 RPKRGPKK 0.19
43 RPKIGPKP 0.2
44 RPKIGPMK 0.2
45 RRRIGWKK 0.21
46 RRRIGWKR 0.21
47 RRKIGWKK 0.22
48 RRKIGWKR 0.22
49 RPWIGRKK 0.23
50 RPWIGRKR 0.23
51 RRRIGPKR 0.23
52 RRKIGPKK 0.24
53 RRRIGPKK 0.24
54 RRKIGPKR 0.24
55 RPRIGRHK 0.24
56 RPRIGRHR 0.24
57 RPKIGRHR 0.25
58 RPKIGRHK 0.25
59 RPRIGRMR 0.26
60 RPRRGRKR 0.26
61 RPRRGRKK 0.26
62 RPWIGWHR 0.26
63 RPWIGWHK 0.26
64 RPKIGRMR 0.27
65 RPKIGRMK 0.27
66 RPRIGRMK 0.27
67 RPKRGRKR 0.27
68 RPKRGRKK 0.27
69 RPRIGRKP 0.27
70 RPWRGWKR 0.28
71 RPKIGRKP 0.28
72 RPWIGWMR 0.28
73 RPWIGWKP 0.29
74 RPWIGWMK 0.29
75 RPWRGWKK 0.29
76 RPWIGPHK 0.29
77 RPWIGPHR 0.29
78 RPRIGWHP 0.3
79 RPKRGWHR 0.3
80 RPRRGWHK 0.3
81 RPRRGWHR 0.3
82 RPKRGWHK 0.31
83 RPWRGPKK 0.31
84 RPKIGWHP 0.31
85 RPWIGPKP 0.31
86 RPWRGPKR 0.31
87 RPWIGPMK 0.31
88 RPWIGPMR 0.31
89 RRRIGRKR 0.31
90 RRKIGRKR 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPRIGPKK

1.68

-8.76

-7.08
2 RPRIGWMK

1.61

-8.56

-6.95
3 RPRIGRKR

1.9

-8.65

-6.75
4 RPKIGRKR

1.83

-8.53

-6.7
5 RPRIGWKR

2.01

-8.58

-6.57
6 RPRIGWMR

2.26

-8.82

-6.56
7 RPKIGRKK

2.03

-8.59

-6.56
8 RPRIGPHK

1.59

-8.14

-6.55
9 RPRIGRKK

2.14

-8.56

-6.42
10 RPWIGWKR

1.94

-8.32

-6.38
11 RPWIGWKK

1.58

-7.95

-6.37
12 RPKIGPKK

1.91

-8.27

-6.36
13 RPRIGWKP

2.01

-8.33

-6.32
14 RPRIGPKR

2.41

-8.61

-6.2
15 RPKIGPHR

1.89

-8.06

-6.17
16 RPWIGPKK

2.01

-8.18

-6.17
17 RPKIGPKR

2.33

-8.48

-6.15
18 RPKIGWKR

1.9

-8.04

-6.14
19 RPWIGPKR

2.4

-8.41

-6.01
20 RPKIGWHR

1.81

-7.77

-5.96
21 RPKIGWKK

2.29

-8.22

-5.93
22 RPKIGWHK

1.78

-7.66

-5.88
23 RPKRGWKR

2.08

-7.91

-5.83
24 RPRIGWKK

2.42

-8.24

-5.82
25 RPRIGPHR

2.05

-7.86

-5.81
26 RPRRGWKR

2.48

-8.08

-5.6
27 RPRIGWHK

1.79

-7.39

-5.6
28 RPRIGWHR

1.64

-7.23

-5.59
29 RPKRGWKK

2.05

-7.63

-5.58
30 RPRRGWKK

2.84

-7.68

-4.84

 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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