Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-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 3.082 ΔGbinding -2.526
TOTAL
 0.556
Backbone Hb -1.775 Cis_bond 0.000
Sidechain Hb -1.775 Torsional clash 0.181
Van der Waals -2.285 Backbone clash 0.004
Electrostatics 0.023 Helix dipole 0.000
Solvation Polar 3.394 Water bridges -0.017
Solvation Hyd -3.125 Disulfide 0.000
VdW clashes 0.032 Electrost. Kon -0.042
Entropy sc 0.984 Part.cov.bonds 0.000
Entropy mc

1.878

 ΔGstability

75.017
       

Predicted ligand sequences for model [FUS1_1FYN-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_1FYN-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WKRRIPRR 0.0
2 WKRRIPMR 0.03
3 WKRRNPRR 0.1
4 WKRRNPMR 0.13
5 WKRFIPRR 0.15
6 WKRIIPRR 0.16
7 WKRFIPMR 0.17
8 WKRRIPRK 0.18
9 WKRIIPMR 0.19
10 WKRRIPMK 0.2
11 WKRRIRRR 0.2
12 WKRRIPRH 0.21
13 WKRRIPFR 0.22
14 WKRRIRMR 0.23
15 WKRRIPMH 0.24
16 WKRFNPRR 0.25
17 WKRINPRR 0.26
18 WKRFNPMR 0.28
19 WKRRNPRK 0.28
20 WKRINPMR 0.29
21 WKRRNPMK 0.3
22 WKRRNRRR 0.31
23 WKRRNPRH 0.31
24 WKRRPPRR 0.32
25 WKRRNPFR 0.32
26 WKRFIPRK 0.32
27 WKRRNRMR 0.33
28 WKRRPPMR 0.34
29 WKRIIPRK 0.34
30 WKRRNPMH 0.34
31 WKRFIPMK 0.35
32 WKRFIRRR 0.35
33 WKRFIPRH 0.36
34 HKRRIPRR 0.36
35 WKRIIPMK 0.36
36 WKRIIRRR 0.37
37 WKRIIPRH 0.37
38 WKRFIPFR 0.37
39 WKRFIRMR 0.38
40 HKRRIPMR 0.38
41 WKRFIPMH 0.38
42 WKRIIPFR 0.38
43 WKRRIKRR 0.38
44 WKRRIRRK 0.38
45 WKRIIRMR 0.39
46 WKRRIKMR 0.4
47 WKPRIPRR 0.4
48 WKRIIPMH 0.4
49 WKRRIPFK 0.4
50 WKRRIRMK 0.41
51 WKPRIPMR 0.42
52 WKRRIRFR 0.42
53 WKRRIRRH 0.42
54 WKRRIPFH 0.43
55 WKRFNPRK 0.43
56 WKRRIRMH 0.44
57 WKRINPRK 0.44
58 WKRFNPMK 0.45
59 WKRFNRRR 0.45
60 MKRRIPRR 0.46
61 HKRRNPRR 0.46
62 WKRFPPRR 0.46
63 WKRFNPRH 0.46
64 WKRINRRR 0.47
65 WKRFNPFR 0.47
66 WKRINPMK 0.47
67 WKRINPRH 0.47
68 WKRIPPRR 0.48
69 WKRINPFR 0.48
70 WKRFNRMR 0.48
71 WKRRNRRK 0.48
72 HKRRNPMR 0.48
73 WKRRNKRR 0.48
74 WKRRPPRK 0.49
75 WKRFNPMH 0.49
76 WKRFPPMR 0.49
77 WKRINRMR 0.49
78 MKRRIPMR 0.49
79 WKRIPPMR 0.5
80 WKRRNPFK 0.5
81 WKPRNPRR 0.5
82 HKRFIPRR 0.5
83 WKRINPMH 0.5
84 WKRRNKMR 0.51
85 WKRRNRMK 0.51
86 HKRIIPRR 0.52
87 WKRRNRRH 0.52
88 WKRRPPMK 0.52
89 WKPRNPMR 0.52
90 WKRRPRRR 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WKRRNPMH

3.38

-7.78

-4.4
2 WKRIIPRR

5.13

-9.16

-4.03
3 WKRFIPMR

5.06

-9.05

-3.99
4 WKRRIPMK

4.76

-8.35

-3.59
5 WKRRIPRH

3.89

-7.4

-3.51
6 WKRRNRRR

4.17

-7.28

-3.11
7 WKRRIPRK

4.84

-7.69

-2.85
8 WKRRPPMR

4.07

-6.92

-2.85
9 WKRIIPMR

4.58

-7.36

-2.78
10 WKRRNPMK

4.17

-6.57

-2.4
11 WKRRIPRR

4.76

-7.1

-2.34
12 WKRRNPFR

4.86

-7.1

-2.24
13 WKRINPMR

4.87

-7.1

-2.23
14 WKRRPPRR

4.06

-6.27

-2.21
15 WKRFNPMR

4.13

-6.24

-2.11
16 WKRRNRMR

4.54

-6.56

-2.02
17 WKRRIPFR

4.78

-6.79

-2.01
18 WKRFIPRK

4.13

-6.06

-1.93
19 WKRINPRR

4.31

-6.14

-1.83
20 WKRRIPMR

4.94

-6.74

-1.8
21 WKRRIPMH

4.46

-6.21

-1.75
22 WKRRNPMR

4.21

-5.91

-1.7
23 WKRRIRMR

4.39

-5.88

-1.49
24 WKRRIRRR

4.48

-5.96

-1.48
25 WKRRNPRR

4.28

-5.73

-1.45
26 WKRFIPRR

4.71

-6.09

-1.38
27 WKRFNPRR

4.32

-5.58

-1.26
28 WKRRNPRH

4.26

-5.25

-0.99
29 WKRIIPRK

5.77

-6.46

-0.69
30 WKRRNPRK

5.38

-4.99

0.39

 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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