Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-9.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 2.648 ΔGbinding 0.748
TOTAL
 3.396
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.191
Van der Waals -1.868 Backbone clash 0.031
Electrostatics 0.252 Helix dipole 0.000
Solvation Polar 1.880 Water bridges -0.193
Solvation Hyd -2.769 Disulfide 0.000
VdW clashes 0.374 Electrost. Kon 0.225
Entropy sc 0.320 Part.cov.bonds 0.000
Entropy mc

2.337

 ΔGstability

112.486
       

Predicted ligand sequences for model [FUS1_1SHF-9.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-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRYWIPRH 0.0
2 RRYWIPRF 0.0
3 RRYWIPKH 0.01
4 RRYWIPKF 0.01
5 RRYWIPRY 0.02
6 RRYWIPKY 0.03
7 RRPWIPKH 0.07
8 RRPWIPRH 0.07
9 RRPWIPRF 0.07
10 RRPWIPKF 0.08
11 RRPWIPRY 0.09
12 RRPWIPKY 0.1
13 RRWWIPKH 0.15
14 RRWWIPRH 0.15
15 RRWWIPRF 0.15
16 RRWWIPKF 0.16
17 RRWWIPRY 0.17
18 RRWWIPKY 0.18
19 RRYWIRRH 0.22
20 RRYWIRKF 0.23
21 RRYWIRKH 0.23
22 RRYWIRRF 0.23
23 RRYWIRKY 0.25
24 RRYWILRF 0.25
25 RRYWIRRY 0.25
26 RRYWILKH 0.25
27 RRYWILKF 0.25
28 RRYWILRH 0.25
29 RRYWIPFF 0.27
30 RRYWIPFH 0.27
31 RRYWILRY 0.27
32 RRYWILKY 0.28
33 RRYWIPFY 0.29
34 RRPWIRRH 0.29
35 RRPWIRKH 0.3
36 RRPWIRKF 0.3
37 RRPWIRRF 0.3
38 RRPWIRKY 0.32
39 RRPWILRH 0.32
40 RRPWILRF 0.32
41 RRPWILKF 0.32
42 RRPWILKH 0.32
43 RKYWIPRH 0.32
44 RRPWIRRY 0.32
45 RKYWIPRF 0.33
46 RKYWIPKF 0.33
47 RKYWIPKH 0.33
48 RRPWILRY 0.34
49 RRPWIPFH 0.34
50 RRPWIPFF 0.34
51 RRPWILKY 0.35
52 RKYWIPRY 0.35
53 RKYWIPKY 0.35
54 RRPWIPFY 0.36
55 RRWWIRRH 0.37
56 RRWWIRKH 0.38
57 RRWWIRKF 0.38
58 RRWWIRRF 0.38
59 RKPWIPRH 0.39
60 RKPWIPRF 0.39
61 RRWWIRKY 0.4
62 RRWWIRRY 0.4
63 RKPWIPKH 0.4
64 RKPWIPKF 0.4
65 RRWWILRF 0.4
66 RRWWILRH 0.4
67 RRWWILKH 0.4
68 RRWWILKF 0.4
69 RKPWIPRY 0.42
70 RKPWIPKY 0.42
71 RRWWIPFF 0.42
72 RRWWIPFH 0.42
73 RRWWILRY 0.42
74 RRWWILKY 0.43
75 RRWWIPFY 0.44
76 RKWWIPRF 0.47
77 RKWWIPRH 0.47
78 RKWWIPKH 0.48
79 RKWWIPKF 0.48
80 RRYWIRFF 0.49
81 RRYWIRFH 0.49
82 RKWWIPKY 0.5
83 RKWWIPRY 0.5
84 RRYWIRFY 0.51
85 RRYWILFH 0.51
86 RRYWILFF 0.52
87 RRYWILFY 0.54
88 RKYWIRRF 0.55
89 RKYWIRRH 0.55
90 RKYWIRKF 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPWIPKF

5.35

-10.94

-5.59
2 RRYWILRF

4.08

-9.06

-4.98
3 RRPWIPRH

3.64

-8.2

-4.56
4 RRYWIPRH

3.91

-8.34

-4.43
5 RRYWIRKH

5.17

-9.16

-3.99
6 RRYWIRRF

4.26

-8.09

-3.83
7 RRYWIPKF

3.61

-7.37

-3.76
8 RRYWIPRY

4.52

-8.15

-3.63
9 RRWWIPRH

4.74

-8.34

-3.6
10 RRYWIPRF

4.11

-7.66

-3.55
11 RRYWIRKF

4.18

-7.41

-3.23
12 RRPWIPRF

4.63

-7.79

-3.16
13 RRYWIPKY

4.45

-7.59

-3.14
14 RRYWILRH

4.6

-7.58

-2.98
15 RRYWILKF

4.36

-7.23

-2.87
16 RRWWIPKF

4.39

-7.21

-2.82
17 RRPWIPKH

4.65

-7.46

-2.81
18 RRYWIRRY

4.39

-7.19

-2.8
19 RRPWIPRY

4.94

-7.74

-2.8
20 RRWWIPKH

4.62

-7.4

-2.78
21 RRWWIPRY

5.75

-8.53

-2.78
22 RRYWILKH

4.12

-6.82

-2.7
23 RRYWIRKY

4.47

-7.12

-2.65
24 RRYWIPKH

4.26

-6.9

-2.64
25 RRYWIRRH

4.59

-7.15

-2.56
26 RRPWIPKY

5.39

-7.88

-2.49
27 RRWWIPRF

5.63

-7.84

-2.21
28 RRWWIPKY

5.88

-8.08

-2.2
29 RRYWIPFH

4.79

-6.94

-2.15
30 RRYWIPFF

4.96

-6.76

-1.8

 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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