Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-26.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
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 3.793 ΔGbinding 0.780
TOTAL
 4.573
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.294
Van der Waals -2.617 Backbone clash 0.054
Electrostatics 0.238 Helix dipole 0.000
Solvation Polar 2.868 Water bridges -0.002
Solvation Hyd -3.656 Disulfide 0.000
VdW clashes 1.211 Electrost. Kon 0.259
Entropy sc 0.199 Part.cov.bonds 0.000
Entropy mc

1.984

 ΔGstability

92.202
       

Predicted ligand sequences for model [FUS1_1PWT-26.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_1PWT-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRFKKFRPF 0.0
2 YKFKKFRPF 0.09
3 YRRKKFRPF 0.12
4 YRFKKFRRF 0.12
5 YRFKRFRPF 0.14
6 YRFKHFRPF 0.14
7 YDFKKFRPF 0.14
8 YKFKKFRRF 0.21
9 YKRKKFRPF 0.22
10 YRFKKFHPF 0.23
11 YKFKRFRPF 0.23
12 YKFKHFRPF 0.23
13 YRRKKFRRF 0.24
14 YDFKKFRRF 0.26
15 YRRKHFRPF 0.26
16 YRRKRFRPF 0.26
17 YRFKRFRRF 0.26
18 YRFKHFRRF 0.26
19 YDRKKFRPF 0.27
20 YDFKHFRPF 0.28
21 YDFKRFRPF 0.28
22 YRFKKMRPF 0.32
23 YKFKKFHPF 0.33
24 YKRKKFRRF 0.33
25 YRRKKFHPF 0.35
26 YKFKHFRRF 0.35
27 YRFKKFHRF 0.35
28 YRFKKFRKF 0.35
29 YKFKRFRRF 0.35
30 YKRKRFRPF 0.36
31 YKRKHFRPF 0.36
32 YRFKRFHPF 0.37
33 YRFKHFHPF 0.37
34 YRRKHFRRF 0.38
35 YDRKKFRRF 0.38
36 YDFKKFHPF 0.38
37 YRRKRFRRF 0.38
38 YDFKRFRRF 0.4
39 YDFKHFRRF 0.4
40 YDRKHFRPF 0.41
41 YDRKRFRPF 0.41
42 YKFKKMRPF 0.41
43 YRFKKMRRF 0.43
44 YRRKKMRPF 0.44
45 YKFKKFRKF 0.44
46 YKFKKFHRF 0.44
47 YRMKKFRPF 0.45
48 YKRKKFHPF 0.45
49 YRFKRMRPF 0.46
50 YRFKHMRPF 0.46
51 YDFKKMRPF 0.46
52 MRFKKFRPF 0.46
53 YRRKKFRKF 0.47
54 YKFKRFHPF 0.47
55 YKRKRFRRF 0.47
56 YRRKKFHRF 0.47
57 YKFKHFHPF 0.47
58 YKRKHFRRF 0.47
59 YRFKKFRPW 0.49
60 YRFKRFRKF 0.49
61 YDFKKFRKF 0.49
62 YRRKHFHPF 0.49
63 YRFKHFRKF 0.49
64 YDFKKFHRF 0.49
65 YRFKRFHRF 0.49
66 YRFKHFHRF 0.49
67 YRRKRFHPF 0.49
68 YDRKKFHPF 0.5
69 YDRKRFRRF 0.52
70 YDFKRFHPF 0.52
71 YDRKHFRRF 0.52
72 YDFKHFHPF 0.52
73 YKFKKMRRF 0.53
74 YKRKKMRPF 0.54
75 YRFKKMHPF 0.55
76 YKFKHMRPF 0.55
77 YKMKKFRPF 0.55
78 YKFKRMRPF 0.55
79 MKFKKFRPF 0.55
80 YRRKKMRRF 0.56
81 YKRKKFHRF 0.56
82 YKRKKFRKF 0.57
83 YRMKKFRRF 0.57
84 MRFKKFRRF 0.58
85 YDFKKMRRF 0.58
86 YKFKHFHRF 0.58
87 YDRKKMRPF 0.58
88 YKFKHFRKF 0.58
89 YRFKHMRRF 0.58
90 YRFKKFHKF 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YKRKRFRPF

2.78

-7.33

-4.55
2 YKRKKFRRF

4.1

-8.29

-4.19
3 YRFKRFRPF

3.28

-7.46

-4.18
4 YKRKKFRPF

2.73

-6.79

-4.06
5 YKFKRFRRF

3.57

-7.54

-3.97
6 YRRKKFRRF

2.76

-6.69

-3.93
7 YRRKKFHPF

3.33

-7.03

-3.7
8 YRRKRFRPF

3.32

-6.93

-3.61
9 YDFKRFRPF

3.34

-6.88

-3.54
10 YKFKRFRPF

3.24

-6.78

-3.54
11 YRFKKFRPF

3.42

-6.91

-3.49
12 YRFKHFRRF

2.92

-6.39

-3.47
13 YRFKKMRPF

2.79

-6.16

-3.37
14 YKFKKFRRF

3.46

-6.74

-3.28
15 YKFKHFRRF

3.28

-6.55

-3.27
16 YDFKKFRPF

2.86

-6.05

-3.19
17 YKFKKFRPF

3.57

-6.7

-3.13
18 YRFKKFRRF

3.81

-6.89

-3.08
19 YDFKKFRRF

3.32

-6.18

-2.86
20 YRFKRFRRF

3.96

-6.8

-2.84
21 YDRKKFRPF

3.53

-6.35

-2.82
22 YRRKKFRPF

2.59

-5.27

-2.68
23 YRRKHFRPF

2.84

-5.5

-2.66
24 YKFKHFRPF

3.23

-5.82

-2.59
25 YRFKKFRKF

2.88

-5.35

-2.47
26 YKFKKFHPF

3.06

-5.23

-2.17
27 YRFKHFRPF

2.92

-5.04

-2.12
28 YRFKKFHPF

3.8

-5.67

-1.87
29 YRFKKFHRF

3.21

-4.94

-1.73
30 YDFKHFRPF

3.69

-4.6

-0.91

 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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