Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-10.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 0.598 ΔGbinding 0.750
TOTAL
 1.348
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.829
Van der Waals -4.185 Backbone clash 0.242
Electrostatics 0.188 Helix dipole 0.000
Solvation Polar 4.846 Water bridges 0.022
Solvation Hyd -5.380 Disulfide 0.000
VdW clashes 3.020 Electrost. Kon 0.235
Entropy sc 0.629 Part.cov.bonds 0.000
Entropy mc

1.819

 ΔGstability

12.721
       

Predicted ligand sequences for model [LSB3_2A08-10.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).
 
  LSB3_2A08-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPWRIPRR 0.0
2 RPWRIPRK 0.01
3 RPKRIPRR 0.06
4 RPFRIPRR 0.06
5 RPFRIPRK 0.07
6 RPKRIPRK 0.08
7 RPWRITRR 0.09
8 RPWRITRK 0.1
9 RPWRIWRR 0.12
10 RPWRIPRP 0.13
11 RPWRIWRK 0.14
12 RPFRITRR 0.15
13 RPKRITRR 0.15
14 RPFRITRK 0.16
15 RPKRITRK 0.17
16 RPWRVPRR 0.18
17 RPFRIWRR 0.18
18 RPKRIPRP 0.19
19 RPKRIWRR 0.19
20 RPFRIWRK 0.19
21 RPFRIPRP 0.19
22 RPWRVPRK 0.2
23 RPKRIWRK 0.2
24 RPWRITRP 0.22
25 RPFRVPRR 0.24
26 RPWRGPRR 0.24
27 RPKRVPRR 0.25
28 RPWRGPRK 0.25
29 RPFRVPRK 0.25
30 RPKRVPRK 0.26
31 RPWRIWRP 0.26
32 RPFRITRP 0.28
33 RPWRVTRR 0.28
34 RPFRGPRR 0.29
35 RPWRVTRK 0.29
36 RPKRITRP 0.29
37 RPKRGPRR 0.3
38 RPFRGPRK 0.31
39 RPFRIWRP 0.31
40 RPWRVWRR 0.31
41 RPWRVPRP 0.32
42 RPKRIWRP 0.32
43 RPKRGPRK 0.32
44 RPWRVWRK 0.32
45 RRWRIPRR 0.32
46 RPFRVTRR 0.33
47 RPWRGTRR 0.33
48 RRWRIPRK 0.33
49 RPWRGTRK 0.34
50 RPFRVTRK 0.34
51 RPKRVTRR 0.34
52 RPKRVTRK 0.35
53 RPWRGWRR 0.36
54 RPFRVWRR 0.36
55 RPFRVPRP 0.37
56 RPKRVWRR 0.37
57 RPWRGPRP 0.37
58 RPWRGWRK 0.38
59 RPKRVPRP 0.38
60 RPFRVWRK 0.38
61 RPKRVWRK 0.38
62 RRFRIPRR 0.38
63 RRKRIPRR 0.38
64 RPFRGTRR 0.39
65 RRFRIPRK 0.39
66 RPFRGTRK 0.4
67 RPKRGTRR 0.4
68 RRKRIPRK 0.4
69 RPWKIPRR 0.41
70 RPKRGTRK 0.41
71 RPWRVTRP 0.41
72 RRWRITRR 0.41
73 RPWKIPRK 0.42
74 RPFRGWRR 0.42
75 RPFRGPRP 0.43
76 RPKRGPRP 0.43
77 RPKRGWRR 0.43
78 RPFRGWRK 0.43
79 RRWRITRK 0.43
80 RPKRGWRK 0.44
81 RPWRVWRP 0.44
82 RRWRIWRR 0.45
83 RRWRIPRP 0.45
84 RPWRGTRP 0.46
85 RPFRVTRP 0.46
86 RRWRIWRK 0.46
87 RPFKIPRR 0.46
88 RPKKIPRR 0.47
89 RPKRVTRP 0.47
90 RRFRITRR 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPWRGPRR

2.29

-8.23

-5.94
2 RPWRGPRK

1.71

-6.02

-4.31
3 RPKRVPRR

1.94

-3.53

-1.59
4 RPWRVPRR

2.45

-3.94

-1.49
5 RPKRIPRR

2.86

-4.1

-1.24
6 RPFRVPRK

1.97

-2.67

-0.7
7 RPKRIWRK

3.59

-3.87

-0.28
8 RPKRVPRK

2.04

-2.2

-0.16
9 RPWRIWRK

2.94

-3.0

-0.06
10 RPWRIPRP

3.04

-2.91

0.13
11 RPWRITRR

4.06

-3.91

0.15
12 RPWRIWRR

3.27

-3.07

0.2
13 RPKRITRR

2.99

-2.43

0.56
14 RPFRITRK

3.27

-2.65

0.62
15 RPKRIWRR

3.16

-2.47

0.69
16 RPFRIWRR

3.17

-2.38

0.79
17 RPWRIPRR

4.61

-3.69

0.92
18 RPKRITRK

4.46

-3.51

0.95
19 RPWRVPRK

2.01

-0.97

1.04
20 RPFRIPRK

3.91

-2.75

1.16
21 RPKRIPRK

4.79

-3.62

1.17
22 RPWRITRK

4.36

-3.17

1.19
23 RPFRVPRR

1.87

-0.54

1.33
24 RPFRIPRP

3.8

-2.43

1.37
25 RPFRITRR

3.71

-2.34

1.37
26 RPWRIPRK

4.5

-3.04

1.46
27 RPFRIWRK

4.08

-2.45

1.63
28 RPKRIPRP

4.23

-2.24

1.99
29 RPWRITRP

4.15

-2.16

1.99
30 RPFRIPRR

4.45

-1.8

2.65

 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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