Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-4.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 10
poly-Ala A A 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 5.063 ΔGbinding -1.064
TOTAL
 3.999
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.591
Van der Waals -3.399 Backbone clash 0.009
Electrostatics -0.204 Helix dipole 0.000
Solvation Polar 3.192 Water bridges -0.000
Solvation Hyd -5.472 Disulfide 0.000
VdW clashes 3.617 Electrost. Kon -0.254
Entropy sc 0.869 Part.cov.bonds 0.000
Entropy mc

1.270

 ΔGstability

112.349
       

Predicted ligand sequences for model [FUS1_1SHF-4.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-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHPFRWRRRH 0.0
2 RHPFKWRRRH 0.02
3 RTPFRWRRRH 0.21
4 RHPFHWRRRH 0.21
5 RHRFRWRRRH 0.22
6 RTPFKWRRRH 0.22
7 RHRFKWRRRH 0.24
8 RHKFRWRRRH 0.26
9 LHPFRWRRRH 0.27
10 RHPFRWRPRH 0.27
11 RHKFKWRRRH 0.28
12 RHPFKWRPRH 0.29
13 LHPFKWRRRH 0.29
14 RHPFRWRRRW 0.32
15 RHPFKWRRRW 0.34
16 RHPFRWRRRR 0.36
17 RRPFRWRRRH 0.37
18 RHPFKWRRRR 0.38
19 RRPFKWRRRH 0.39
20 RTPFHWRRRH 0.41
21 RTRFRWRRRH 0.43
22 RHRFHWRRRH 0.43
23 HHPFRWRRRH 0.44
24 RTRFKWRRRH 0.45
25 RHPFRYRRRH 0.46
26 HHPFKWRRRH 0.46
27 RTKFRWRRRH 0.47
28 RHKFHWRRRH 0.47
29 LTPFRWRRRH 0.48
30 RHPFKYRRRH 0.48
31 RTPFRWRPRH 0.48
32 RHPFHWRPRH 0.48
33 LHPFHWRRRH 0.48
34 RTKFKWRRRH 0.49
35 LHRFRWRRRH 0.49
36 RHPFRWRHRH 0.49
37 RHRFRWRPRH 0.49
38 RTPFKWRPRH 0.5
39 LTPFKWRRRH 0.5
40 RHRFKWRPRH 0.51
41 RHPFKWRHRH 0.51
42 LHRFKWRRRH 0.51
43 RTPFRWRRRW 0.53
44 RHPFHWRRRW 0.53
45 RHRFRWRRRW 0.54
46 RHKFRWRPRH 0.54
47 LHKFRWRRRH 0.54
48 LHPFRWRPRH 0.55
49 RTPFKWRRRW 0.55
50 RHKFKWRPRH 0.55
51 LHPFKWRPRH 0.56
52 RHRFKWRRRW 0.56
53 LHKFKWRRRH 0.56
54 RTPFRWRRRR 0.57
55 RHPFHWRRRR 0.57
56 RHRFRWRRRR 0.58
57 RHKFRWRRRW 0.58
58 RRPFHWRRRH 0.58
59 RTPFKWRRRR 0.59
60 LHPFRWRRRW 0.59
61 RHPFRWRPRW 0.59
62 RRRFRWRRRH 0.59
63 RHRFKWRRRR 0.6
64 RHKFKWRRRW 0.6
65 RHPFKWRPRW 0.61
66 LHPFKWRRRW 0.61
67 RRRFKWRRRH 0.61
68 RRKFRWRRRH 0.63
69 RHKFRWRRRR 0.63
70 RTRFHWRRRH 0.64
71 LRPFRWRRRH 0.64
72 LHPFRWRRRR 0.64
73 RHPFRWRPRR 0.64
74 RRPFRWRPRH 0.64
75 RHKFKWRRRR 0.65
76 RHPFKWRPRR 0.65
77 HTPFRWRRRH 0.65
78 RRKFKWRRRH 0.65
79 HHPFHWRRRH 0.65
80 HHRFRWRRRH 0.66
81 LRPFKWRRRH 0.66
82 LHPFKWRRRR 0.66
83 RRPFKWRPRH 0.66
84 HTPFKWRRRH 0.67
85 RTPFRYRRRH 0.67
86 RHPFHYRRRH 0.67
87 HHRFKWRRRH 0.68
88 RTKFHWRRRH 0.68
89 LTPFHWRRRH 0.69
90 RHRFRYRRRH 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHKFHWRRRH

7.82

-11.85

-4.03
2 RHRFHWRRRH

7.12

-10.67

-3.55
3 RTPFHWRRRH

9.15

-12.63

-3.48
4 RHKFRWRRRH

7.88

-11.19

-3.31
5 RHRFKWRRRH

7.4

-10.3

-2.9
6 RHKFKWRRRH

8.08

-10.6

-2.52
7 RTKFRWRRRH

8.68

-11.13

-2.45
8 LTPFRWRRRH

8.1

-10.29

-2.19
9 RHPFKWRRRR

8.03

-10.2

-2.17
10 RHPFRWRRRW

8.38

-10.12

-1.74
11 RTRFKWRRRH

8.89

-10.39

-1.5
12 RHPFRWRRRR

8.31

-9.79

-1.48
13 HHPFKWRRRH

8.67

-10.07

-1.4
14 RHPFKYRRRH

9.14

-10.31

-1.17
15 RHPFRYRRRH

8.08

-9.1

-1.02
16 RTPFKWRRRH

8.69

-9.59

-0.9
17 RTPFRWRRRH

7.96

-8.79

-0.83
18 RHRFRWRRRH

7.74

-8.39

-0.65
19 RHPFRWRPRH

8.69

-9.2

-0.51
20 RHPFRWRRRH

8.31

-8.66

-0.35
21 RHPFKWRRRW

7.96

-7.86

0.1
22 RRPFRWRRRH

10.42

-10.32

0.1
23 RTRFRWRRRH

8.39

-8.2

0.19
24 LHPFRWRRRH

8.41

-8.12

0.29
25 RRPFKWRRRH

10.11

-9.39

0.72
26 RHPFKWRRRH

8.47

-7.65

0.82
27 HHPFRWRRRH

6.94

-6.12

0.82
28 RHPFHWRRRH

8.54

-7.64

0.9
29 RHPFKWRPRH

8.31

-7.35

0.96
30 LHPFKWRRRH

8.1

-6.53

1.57

 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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