Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-20.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
G
 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 1.610 ΔGbinding -0.717
TOTAL
 0.893
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.078
Van der Waals -3.994 Backbone clash 0.107
Electrostatics 0.325 Helix dipole 0.000
Solvation Polar 4.349 Water bridges -0.005
Solvation Hyd -5.941 Disulfide 0.000
VdW clashes 1.933 Electrost. Kon 0.288
Entropy sc 0.590 Part.cov.bonds 0.000
Entropy mc

2.935

 ΔGstability

56.858
       

Predicted ligand sequences for model [FUS1_1OV32-20.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_1OV32-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMHKYGWWR 0.0
2 RMHKRGWWR 0.02
3 RMHKYGWWK 0.02
4 RRHKYGWWR 0.03
5 RMHKRGWWK 0.04
6 RRHKYGWWK 0.05
7 RMHKYGWMR 0.05
8 RMPKYGWWR 0.05
9 RRHKRGWWR 0.05
10 RMPKYGWWK 0.07
11 RMPKRGWWR 0.07
12 RRHKRGWWK 0.07
13 RMHKRGWMR 0.07
14 RMHKYGWMK 0.08
15 RRPKYGWWR 0.08
16 RRHKYGWMR 0.08
17 RMPKRGWWK 0.09
18 RMHKRGWMK 0.09
19 RRHKRGWMR 0.1
20 RRPKRGWWR 0.1
21 RRPKYGWWK 0.1
22 RMPKYGWMR 0.1
23 RRHKYGWMK 0.11
24 RMHKYGEWR 0.12
25 RRHKRGWMK 0.12
26 RRPKRGWWK 0.12
27 RMPKRGWMR 0.12
28 RMPKYGWMK 0.13
29 RRPKYGWMR 0.13
30 RMHKYGEWK 0.14
31 RMHKRGEWR 0.14
32 RMPKRGWMK 0.14
33 RRPKRGWMR 0.15
34 RMWKYGWWR 0.15
35 RMHKYGWWH 0.15
36 RRHKYGEWR 0.15
37 RRPKYGWMK 0.15
38 RMWKRGWWR 0.16
39 RMHKRGEWK 0.16
40 RMPKYGEWR 0.17
41 RRPKRGWMK 0.17
42 RMWKYGWWK 0.17
43 RMHKYGEMR 0.17
44 RMHKRGWWH 0.17
45 RRHKRGEWR 0.17
46 RRHKYGEWK 0.17
47 RRHKYGWWH 0.18
48 RRWKYGWWR 0.18
49 RMHKRGEMR 0.19
50 RMPKRGEWR 0.19
51 RMPKYGEWK 0.19
52 RRHKRGEWK 0.19
53 RMWKRGWWK 0.19
54 RRWKRGWWR 0.19
55 RRWKYGWWK 0.2
56 RMHKYGWMH 0.2
57 RMHKYGEMK 0.2
58 RMPKYGWWH 0.2
59 RRPKYGEWR 0.2
60 RRHKYGEMR 0.2
61 RMWKYGWMR 0.2
62 RRHKRGWWH 0.2
63 RMHKRGEMK 0.21
64 RMPKRGEWK 0.21
65 RRHKRGEMR 0.22
66 RMWKRGWMR 0.22
67 RMPKRGWWH 0.22
68 RRWKRGWWK 0.22
69 RRPKYGEWK 0.22
70 RRHKYGEMK 0.22
71 RMWKYGWMK 0.22
72 RRPKRGEWR 0.22
73 RMHKRGWMH 0.22
74 RMPKYGEMR 0.22
75 RRPKYGWWH 0.23
76 RRWKYGWMR 0.23
77 RRHKYGWMH 0.23
78 RRHKRGEMK 0.24
79 RRPKRGEWK 0.24
80 RMWKRGWMK 0.24
81 RMPKRGEMR 0.24
82 RRPKYGEMR 0.25
83 RRWKRGWMR 0.25
84 RRPKRGWWH 0.25
85 RRWKYGWMK 0.25
86 RMPKYGEMK 0.25
87 RRHKRGWMH 0.25
88 RMPKYGWMH 0.26
89 RMPKRGEMK 0.26
90 RMHKYGEWH 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPKYGWWR

2.81

-9.05

-6.24
2 RMPKYGWWR

2.26

-8.04

-5.78
3 RRPKYGWMR

2.55

-7.98

-5.43
4 RRHKYGWMR

2.47

-7.75

-5.28
5 RRHKRGWWK

2.5

-7.77

-5.27
6 RMPKRGWMR

2.35

-7.62

-5.27
7 RRPKRGWWR

2.31

-7.4

-5.09
8 RRHKYGWMK

2.61

-7.57

-4.96
9 RRHKRGWMR

2.03

-6.86

-4.83
10 RRHKYGWWK

1.91

-6.74

-4.83
11 RMHKRGWWK

2.46

-7.27

-4.81
12 RMHKYGEWK

2.36

-7.12

-4.76
13 RRHKRGWWR

2.59

-7.35

-4.76
14 RRHKYGWWR

2.51

-6.85

-4.34
15 RMHKRGWMR

3.51

-7.85

-4.34
16 RMPKYGWMR

2.48

-6.75

-4.27
17 RMHKRGWWR

3.17

-7.24

-4.07
18 RRHKRGWMK

1.86

-5.85

-3.99
19 RMHKYGEWR

2.21

-6.06

-3.85
20 RMHKRGWMK

2.93

-6.64

-3.71
21 RRPKYGWWK

2.11

-5.81

-3.7
22 RRPKRGWWK

1.89

-5.36

-3.47
23 RMPKYGWMK

2.82

-6.11

-3.29
24 RMHKYGWMR

2.79

-5.96

-3.17
25 RMHKYGWWR

2.98

-6.02

-3.04
26 RMPKYGWWK

3.51

-6.5

-2.99
27 RMPKRGWWR

2.58

-5.36

-2.78
28 RMHKYGWMK

2.5

-5.15

-2.65
29 RMPKRGWWK

3.05

-5.61

-2.56
30 RMHKYGWWK

2.44

-4.55

-2.11

 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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