Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 1.529 ΔGbinding -0.130
TOTAL
 1.399
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.575
Van der Waals -2.613 Backbone clash 0.019
Electrostatics 0.110 Helix dipole 0.000
Solvation Polar 2.701 Water bridges -0.012
Solvation Hyd -3.655 Disulfide 0.000
VdW clashes 0.073 Electrost. Kon 0.005
Entropy sc 0.267 Part.cov.bonds 0.000
Entropy mc

2.419

 ΔGstability

57.132
       

Predicted ligand sequences for model [FUS1_1OV32-11.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_1OV32-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRPRWPL 0.0
2 KRPRWRL 0.08
3 KRPRWPQ 0.1
4 RRPRWPL 0.11
5 KRPRWPM 0.12
6 KWPRWPL 0.12
7 KRPRWGL 0.14
8 KRPRWRQ 0.18
9 RRPRWRL 0.19
10 KKPRWPL 0.2
11 KWPRWRL 0.2
12 RRPRWPQ 0.21
13 KRPRWRM 0.21
14 KWPRWPQ 0.22
15 RWPRWPL 0.22
16 RRPRWPM 0.23
17 KRRRWPL 0.23
18 KWPRWPM 0.24
19 RRPRWGL 0.25
20 KRPRWGQ 0.25
21 KRKRWPL 0.25
22 KWPRWGL 0.26
23 KRPRWGM 0.27
24 KKPRWRL 0.28
25 RRPRWRQ 0.29
26 RWPRWRL 0.3
27 KKPRWPQ 0.3
28 KWPRWRQ 0.3
29 RKPRWPL 0.3
30 KRRRWRL 0.31
31 RRPRWRM 0.31
32 KKPRWPM 0.32
33 KWPRWRM 0.32
34 KRKRWRL 0.33
35 RWPRWPQ 0.33
36 KRRRWPQ 0.33
37 RRRRWPL 0.34
38 KWRRWPL 0.34
39 KKPRWGL 0.34
40 RRPRWGQ 0.35
41 RWPRWPM 0.35
42 KRRRWPM 0.35
43 KRKRWPQ 0.35
44 KWKRWPL 0.36
45 RRKRWPL 0.36
46 KWPRWGQ 0.36
47 KRRRWGL 0.37
48 RWPRWGL 0.37
49 KRKRWPM 0.37
50 RRPRWGM 0.38
51 KKPRWRQ 0.38
52 KWPRWGM 0.38
53 RKPRWRL 0.39
54 KRKRWGL 0.39
55 KKPRWRM 0.4
56 RWPRWRQ 0.41
57 KRRRWRQ 0.41
58 RKPRWPQ 0.41
59 KWRRWRL 0.42
60 KKRRWPL 0.42
61 RRRRWRL 0.42
62 RWPRWRM 0.43
63 KRRRWRM 0.43
64 KRKRWRQ 0.43
65 RKPRWPM 0.43
66 RRKRWRL 0.44
67 RRRRWPQ 0.44
68 KWKRWRL 0.44
69 KKKRWPL 0.44
70 KKPRWGQ 0.44
71 RWRRWPL 0.45
72 RKPRWGL 0.45
73 KRKRWRM 0.45
74 KWRRWPQ 0.45
75 RRRRWPM 0.46
76 RRKRWPQ 0.46
77 KKPRWGM 0.46
78 KWKRWPQ 0.47
79 KWRRWPM 0.47
80 RWKRWPL 0.47
81 KRRRWGQ 0.47
82 RWPRWGQ 0.47
83 RRRRWGL 0.48
84 RRKRWPM 0.48
85 KWRRWGL 0.48
86 KRKRWGQ 0.49
87 KRRRWGM 0.49
88 RKPRWRQ 0.49
89 KWKRWPM 0.49
90 RWPRWGM 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPRWRL

3.66

-7.49

-3.83
2 KRPRWRL

2.34

-6.0

-3.66
3 KWPRWPM

2.08

-5.63

-3.55
4 RRPRWRQ

2.27

-5.58

-3.31
5 RRPRWGL

2.08

-4.97

-2.89
6 KRRRWRL

2.73

-5.38

-2.65
7 KKPRWRL

2.84

-5.1

-2.26
8 KKPRWPL

2.5

-4.68

-2.18
9 KRPRWRM

2.48

-4.54

-2.06
10 KRPRWRQ

2.23

-4.13

-1.9
11 RRPRWPM

2.47

-4.25

-1.78
12 KRPRWGQ

1.93

-3.64

-1.71
13 KWPRWRQ

2.02

-3.63

-1.61
14 KWPRWRL

2.72

-4.27

-1.55
15 RRPRWPQ

3.61

-4.95

-1.34
16 RWPRWRL

2.83

-4.0

-1.17
17 RKPRWPL

2.59

-3.7

-1.11
18 KRPRWPQ

2.19

-3.16

-0.97
19 KRPRWPM

2.71

-3.67

-0.96
20 KRPRWGL

2.83

-3.62

-0.79
21 KRPRWPL

3.22

-3.72

-0.5
22 KRRRWPL

3.85

-4.18

-0.33
23 KWPRWGL

2.15

-2.47

-0.32
24 RRPRWPL

2.73

-2.9

-0.17
25 KRPRWGM

2.46

-2.48

-0.02
26 RWPRWPL

3.88

-3.54

0.34
27 KRKRWPL

3.73

-2.94

0.79
28 KWPRWPQ

2.9

-1.94

0.96
29 KKPRWPQ

3.45

-1.9

1.55
30 KWPRWPL

3.48

-1.65

1.83

 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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