Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-7.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
G
 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 2.686 ΔGbinding -0.402
TOTAL
 2.284
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.121
Van der Waals -1.941 Backbone clash 0.000
Electrostatics 0.141 Helix dipole 0.000
Solvation Polar 2.009 Water bridges -0.168
Solvation Hyd -2.806 Disulfide 0.000
VdW clashes 0.307 Electrost. Kon 0.101
Entropy sc 0.319 Part.cov.bonds 0.000
Entropy mc

1.516

 ΔGstability

117.035
       

Predicted ligand sequences for model [FUS1_1SHF-7.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).
 
  FUS1_1SHF-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRPMMPKR 0.0
2 WRPMMPLR 0.02
3 WRRMMPKR 0.03
4 WRPFMPKR 0.04
5 WRPMMPKK 0.04
6 WRRMMPLR 0.05
7 WRPMMPLK 0.06
8 WRPFMPLR 0.06
9 WRRMMPKK 0.08
10 WRRFMPKR 0.08
11 WRKMMPKR 0.09
12 WRPFMPKK 0.09
13 WRRFMPLR 0.09
14 WRPMMPKH 0.09
15 WRRMMPLK 0.09
16 WRPMMPLH 0.1
17 WRPFMPLK 0.1
18 WRKMMPLR 0.11
19 WRRMMPKH 0.12
20 WRRFMPKK 0.12
21 WRPFMPKH 0.13
22 WRKMMPKK 0.14
23 WRRFMPLK 0.14
24 WRKFMPKR 0.14
25 WRRMMPLH 0.14
26 WRPFMPLH 0.15
27 WRKMMPLK 0.15
28 WRKFMPLR 0.15
29 WRPMMPRR 0.16
30 WRRFMPKH 0.16
31 WRKMMPKH 0.18
32 WRRFMPLH 0.18
33 WRKFMPKK 0.18
34 WRRMMPRR 0.19
35 WRKMMPLH 0.2
36 WRPMMPRK 0.2
37 WRKFMPLK 0.2
38 WRPFMPRR 0.2
39 WRPRMPKR 0.21
40 WRKFMPKH 0.22
41 WRRMMPRK 0.23
42 WRRFMPRR 0.23
43 WRPRMPLR 0.23
44 WRPMMPRH 0.24
45 WRKFMPLH 0.24
46 WRPFMPRK 0.24
47 WRKMMPRR 0.25
48 WRRRMPKR 0.25
49 WRPRMPKK 0.26
50 WRRRMPLR 0.26
51 IRPMMPKR 0.27
52 WRPRMPLK 0.27
53 WRRMMPRH 0.28
54 WRRFMPRK 0.28
55 WRPMIPKR 0.28
56 WRKFMPRR 0.29
57 IRPMMPLR 0.29
58 WRKMMPRK 0.29
59 WRRRMPKK 0.29
60 WRPFMPRH 0.29
61 WRPRMPKH 0.3
62 WRPMIPLR 0.3
63 WRKRMPKR 0.31
64 WRRMIPKR 0.31
65 IRRMMPKR 0.31
66 WRRRMPLK 0.31
67 WRRFMPRH 0.32
68 WRPMIPKK 0.32
69 WRPFIPKR 0.32
70 IRPFMPKR 0.32
71 IRPMMPKK 0.32
72 WRPRMPLH 0.32
73 WRKRMPLR 0.32
74 IRRMMPLR 0.32
75 IRPFMPLR 0.33
76 IRPMMPLK 0.33
77 WRRRMPKH 0.33
78 WRRMIPLR 0.33
79 WRPMIPLK 0.34
80 WRKFMPRK 0.34
81 WRPFIPLR 0.34
82 WRKMMPRH 0.34
83 IRRFMPKR 0.35
84 IRRMMPKK 0.35
85 WRKRMPKK 0.35
86 WRRRMPLH 0.35
87 IRPFMPKK 0.36
88 WRRFIPKR 0.36
89 IRPMMPKH 0.36
90 WRRMIPKK 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRPMMPRR

4.5

-8.64

-4.14
2 WRPFMPKK

4.74

-8.75

-4.01
3 WRPMMPKR

4.65

-8.35

-3.7
4 WRRMMPLH

4.53

-8.18

-3.65
5 WRRMMPLR

4.75

-8.31

-3.56
6 WRRMMPLK

4.32

-7.84

-3.52
7 WRKMMPKR

4.84

-8.29

-3.45
8 WRRMMPKH

5.0

-8.44

-3.44
9 WRRMMPKR

4.47

-7.9

-3.43
10 WRPMMPKK

5.22

-8.6

-3.38
11 WRPMMPLH

4.35

-7.64

-3.29
12 WRKMMPKK

4.67

-7.86

-3.19
13 WRPFMPKR

4.85

-7.79

-2.94
14 WRPMMPLK

5.25

-8.02

-2.77
15 WRKMMPLR

5.32

-7.91

-2.59
16 WRRFMPKH

4.75

-7.32

-2.57
17 WRRFMPLR

5.05

-7.6

-2.55
18 WRPFMPKH

4.39

-6.81

-2.42
19 WRPFMPLK

4.47

-6.88

-2.41
20 WRPFMPLH

4.74

-7.15

-2.41
21 WRKMMPLK

4.85

-7.19

-2.34
22 WRRFMPKK

4.35

-6.64

-2.29
23 WRRMMPKK

4.99

-7.26

-2.27
24 WRRFMPLK

5.33

-7.54

-2.21
25 WRKFMPLR

5.36

-7.42

-2.06
26 WRPMMPLR

5.52

-7.41

-1.89
27 WRPFMPLR

5.74

-7.27

-1.53
28 WRPMMPKH

4.99

-6.39

-1.4
29 WRKFMPKR

5.31

-6.45

-1.14
30 WRRFMPKR

5.29

-6.24

-0.95

 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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