Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-28.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 3.817 ΔGbinding -0.320
TOTAL
 3.497
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.266
Van der Waals -4.208 Backbone clash 0.116
Electrostatics 0.108 Helix dipole 0.000
Solvation Polar 5.526 Water bridges 0.000
Solvation Hyd -5.954 Disulfide 0.000
VdW clashes 0.178 Electrost. Kon 0.113
Entropy sc 1.588 Part.cov.bonds 0.000
Entropy mc

4.612

 ΔGstability

76.463
       

Predicted ligand sequences for model [FUS1_1FYN-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRRPIPHQ 0.0
2 RRPRRPIPHQ 0.01
3 RRRRRPIKHQ 0.1
4 RRRRREIPHQ 0.1
5 RRPRREIPHQ 0.11
6 RRPRRPIKHQ 0.11
7 RRRRRIIPHQ 0.14
8 RRPRRIIPHQ 0.14
9 RRRRREIKHQ 0.2
10 RRRRRPIRHQ 0.21
11 RRPRREIKHQ 0.21
12 RRPRRPIRHQ 0.22
13 RRRRRIIKHQ 0.23
14 RRPRRIIKHQ 0.24
15 RRRRRPWPHQ 0.25
16 RRPRRPWPHQ 0.26
17 RRYRRPIPHQ 0.3
18 RRRRREIRHQ 0.31
19 RRPRREIRHQ 0.32
20 RRRRRPKPHQ 0.34
21 RRRRRIIRHQ 0.34
22 RRRRREWPHQ 0.35
23 RRPRRIIRHQ 0.35
24 RRPRRPWKHQ 0.35
25 RRPRRPKPHQ 0.35
26 RRRRRPWKHQ 0.35
27 RRPRREWPHQ 0.36
28 RRRRRIWPHQ 0.38
29 KRRRRPIPHQ 0.38
30 KRPRRPIPHQ 0.39
31 RRPRRIWPHQ 0.39
32 RRRRRPIPRQ 0.4
33 RRYRRPIKHQ 0.4
34 RRYRREIPHQ 0.4
35 RRPRRPIPRQ 0.41
36 RRYRRIIPHQ 0.43
37 MRPRRPIPHQ 0.44
38 RRRRREKPHQ 0.44
39 MRRRRPIPHQ 0.44
40 RRRRRPKKHQ 0.44
41 RRPRREKPHQ 0.45
42 RRPRRPKKHQ 0.45
43 RRRRREWKHQ 0.45
44 RRPRREWKHQ 0.45
45 RRRRRPWRHQ 0.46
46 RRPRRPWRHQ 0.46
47 KRRRRPIKHQ 0.48
48 RRRRRIWKHQ 0.48
49 KRPRRPIKHQ 0.48
50 RRRRRIKPHQ 0.48
51 KRRRREIPHQ 0.48
52 RRPRRIKPHQ 0.49
53 KRPRREIPHQ 0.49
54 RRPRRIWKHQ 0.49
55 RRYRREIKHQ 0.5
56 RRPRRPIKRQ 0.5
57 RRRRREIPRQ 0.5
58 RRRRRPIKRQ 0.5
59 KRRRRIIPHQ 0.51
60 RRPRREIPRQ 0.51
61 RRYRRPIRHQ 0.51
62 KRPRRIIPHQ 0.52
63 RRYRRIIKHQ 0.53
64 RRRRRIIPRQ 0.53
65 RRRRREKKHQ 0.54
66 MRRRRPIKHQ 0.54
67 MRPRRPIKHQ 0.54
68 MRRRREIPHQ 0.54
69 RRPRRIIPRQ 0.54
70 RRRRRPKRHQ 0.55
71 RRYRRPWPHQ 0.55
72 RRPRREKKHQ 0.55
73 MRPRREIPHQ 0.55
74 RRPRRPKRHQ 0.56
75 RRRRREWRHQ 0.56
76 RRPRREWRHQ 0.57
77 MRRRRIIPHQ 0.57
78 KRRRREIKHQ 0.58
79 KRPRREIKHQ 0.58
80 MRPRRIIPHQ 0.58
81 RRRRRIKKHQ 0.58
82 RRPRRIKKHQ 0.58
83 RRRRRIWRHQ 0.59
84 KRRRRPIRHQ 0.59
85 KRPRRPIRHQ 0.59
86 RRPRRIWRHQ 0.6
87 RRPRREIKRQ 0.6
88 RRRRREIKRQ 0.6
89 RRRRRPIRRQ 0.61
90 KRRRRIIKHQ 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPRREIRHQ

3.83

-12.9

-9.07
2 RRRRRPIRHQ

3.67

-11.55

-7.88
3 RRRRRIIRHQ

3.61

-11.47

-7.86
4 RRPRRPIRHQ

3.55

-11.26

-7.71
5 RRRRRIIKHQ

3.24

-10.72

-7.48
6 RRRRREIRHQ

4.48

-11.62

-7.14
7 RRRRRPWKHQ

3.66

-10.51

-6.85
8 RRRRRPIKHQ

4.31

-10.85

-6.54
9 RRPRRPWKHQ

3.56

-9.95

-6.39
10 RRPRRPIKHQ

3.3

-9.62

-6.32
11 KRRRRPIPHQ

4.7

-10.83

-6.13
12 RRRRREIPHQ

4.97

-10.68

-5.71
13 RRPRRPKPHQ

4.45

-9.99

-5.54
14 RRRRRPKPHQ

4.72

-10.09

-5.37
15 RRRRRPWPHQ

5.01

-10.12

-5.11
16 RRYRRPIPHQ

4.13

-9.14

-5.01
17 RRRRRIWPHQ

4.95

-9.92

-4.97
18 RRPRRIIRHQ

4.16

-9.05

-4.89
19 RRPRRIIPHQ

4.27

-8.92

-4.65
20 RRPRREIKHQ

3.51

-8.13

-4.62
21 RRRRREIKHQ

4.64

-9.14

-4.5
22 RRPRRIIKHQ

3.89

-8.18

-4.29
23 KRPRRPIPHQ

5.16

-9.26

-4.1
24 RRRRREWPHQ

5.97

-10.05

-4.08
25 RRRRRPIPHQ

4.6

-8.62

-4.02
26 RRRRRIIPHQ

4.7

-8.41

-3.71
27 RRPRREIPHQ

4.48

-8.15

-3.67
28 RRPRREWPHQ

5.34

-8.47

-3.13
29 RRPRRPWPHQ

4.07

-7.07

-3.0
30 RRPRRPIPHQ

3.86

-6.84

-2.98

 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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