Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-8.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
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 1.390 ΔGbinding 1.382
TOTAL
 2.772
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.554
Van der Waals -3.432 Backbone clash 0.048
Electrostatics 0.372 Helix dipole 0.000
Solvation Polar 5.641 Water bridges -0.022
Solvation Hyd -4.246 Disulfide 0.000
VdW clashes 0.302 Electrost. Kon 0.252
Entropy sc 0.288 Part.cov.bonds 0.000
Entropy mc

3.449

 ΔGstability

60.462
       

Predicted ligand sequences for model [FUS1_1OV32-8.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_1OV32-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRWIHPF 0.0
2 KRRWIHPF 0.04
3 RRRPIHPF 0.08
4 RRRFIHPF 0.09
5 RRRWRHPF 0.09
6 HRRWIHPF 0.11
7 KRRPIHPF 0.12
8 KRRFIHPF 0.13
9 KRRWRHPF 0.13
10 RRRWMHPF 0.15
11 RRRPRHPF 0.17
12 RRRFRHPF 0.18
13 HRRPIHPF 0.19
14 KRRWMHPF 0.19
15 HRRWRHPF 0.2
16 HRRFIHPF 0.2
17 KRRPRHPF 0.21
18 KRRFRHPF 0.22
19 RRRPMHPF 0.23
20 RRRWIHRF 0.23
21 RRRFMHPF 0.24
22 RRRWIHKF 0.24
23 RRRWIPPF 0.26
24 HRRWMHPF 0.26
25 KRRPMHPF 0.27
26 KRRWIHRF 0.27
27 KRRFMHPF 0.28
28 KRRWIHKF 0.28
29 HRRPRHPF 0.28
30 HRRFRHPF 0.29
31 KRRWIPPF 0.3
32 RRRPIHRF 0.31
33 RRRFIHRF 0.32
34 RRRWRHRF 0.32
35 RRRPIHKF 0.32
36 RRRWRHKF 0.33
37 RRRFIHKF 0.33
38 RRRPIPPF 0.34
39 HRRPMHPF 0.34
40 HRRWIHRF 0.34
41 HRRWIHKF 0.34
42 HRRFMHPF 0.35
43 RRRFIPPF 0.35
44 KRRPIHRF 0.35
45 RRRWRPPF 0.35
46 KRRFIHRF 0.36
47 KRRWRHRF 0.36
48 KRRPIHKF 0.36
49 HRRWIPPF 0.37
50 KRRWRHKF 0.37
51 KRRFIHKF 0.37
52 RRRWMHRF 0.38
53 KRRPIPPF 0.38
54 RRRWMHKF 0.39
55 KRRFIPPF 0.39
56 KRRWRPPF 0.39
57 RRRPRHRF 0.4
58 RRRFRHRF 0.41
59 RRRWMPPF 0.41
60 RRRPRHKF 0.41
61 HRRPIHRF 0.42
62 KRRWMHRF 0.42
63 HRRPIHKF 0.42
64 RRRFRHKF 0.42
65 KRRWMHKF 0.43
66 RRRPRPPF 0.43
67 HRRFIHRF 0.43
68 HRRWRHRF 0.43
69 HRRWRHKF 0.43
70 RRRFRPPF 0.44
71 KRRPRHRF 0.44
72 HRRFIHKF 0.44
73 KRRPRHKF 0.45
74 RRRWIFPF 0.45
75 KRRFRHRF 0.45
76 HRRPIPPF 0.45
77 KRRWMPPF 0.45
78 HRRFIPPF 0.46
79 KRRFRHKF 0.46
80 HRRWRPPF 0.46
81 RRRPMHRF 0.46
82 RRRFMHRF 0.47
83 RRRPMHKF 0.47
84 KRRPRPPF 0.47
85 KRRFRPPF 0.48
86 RRRFMHKF 0.48
87 HRRWMHRF 0.48
88 RRRPMPPF 0.49
89 KRRWIFPF 0.49
90 RRRWIPRF 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRWIHKF

1.78

-8.08

-6.3
2 KRRFRHPF

2.26

-8.29

-6.03
3 HRRPIHPF

1.77

-7.67

-5.9
4 RRRWRHPF

2.47

-8.02

-5.55
5 HRRFIHPF

1.84

-7.31

-5.47
6 KRRWRHPF

2.24

-7.67

-5.43
7 RRRWIPPF

2.13

-7.56

-5.43
8 HRRWRHPF

2.45

-7.82

-5.37
9 HRRFRHPF

2.03

-7.15

-5.12
10 RRRWIHRF

2.06

-6.8

-4.74
11 RRRPMHPF

2.87

-7.6

-4.73
12 KRRWIHRF

1.86

-6.55

-4.69
13 RRRFRHPF

2.52

-6.94

-4.42
14 KRRWIHKF

1.46

-5.75

-4.29
15 RRRWIHPF

1.81

-6.06

-4.25
16 KRRFMHPF

2.2

-6.3

-4.1
17 KRRFIHPF

1.67

-5.61

-3.94
18 RRRFMHPF

2.18

-5.93

-3.75
19 KRRWIHPF

1.8

-5.44

-3.64
20 HRRPRHPF

2.13

-5.7

-3.57
21 KRRPIHPF

1.51

-4.93

-3.42
22 KRRPMHPF

1.82

-5.22

-3.4
23 RRRFIHPF

2.01

-5.15

-3.14
24 HRRWMHPF

2.32

-5.25

-2.93
25 RRRWMHPF

1.53

-4.46

-2.93
26 HRRWIHPF

2.09

-4.92

-2.83
27 KRRWMHPF

2.64

-5.32

-2.68
28 RRRPIHPF

2.02

-4.67

-2.65
29 RRRPRHPF

2.09

-4.22

-2.13
30 KRRPRHPF

2.33

-3.52

-1.19

 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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