Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-13.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 4.601 ΔGbinding 0.455
TOTAL
 5.056
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.311
Van der Waals -2.327 Backbone clash 0.049
Electrostatics 0.054 Helix dipole 0.000
Solvation Polar 2.394 Water bridges 0.000
Solvation Hyd -3.342 Disulfide 0.000
VdW clashes 1.500 Electrost. Kon -0.025
Entropy sc 0.321 Part.cov.bonds 0.000
Entropy mc

1.570

 ΔGstability

58.850
       

Predicted ligand sequences for model [FUS1_1OV32-13.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_1OV32-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRRIYFLR 0.0
2 RRRIYFLR 0.0
3 RRFIYFLR 0.02
4 HRFIYFLR 0.02
5 RRRIHFLR 0.1
6 HRRIHFLR 0.1
7 RRFIHFLR 0.12
8 HRFIHFLR 0.12
9 HRRIYRLR 0.14
10 RRRIYRLR 0.14
11 RRFIYRLR 0.16
12 HRFIYRLR 0.16
13 HRRIYPLR 0.17
14 RRYIYFLR 0.17
15 HRYIYFLR 0.17
16 RRRIYPLR 0.17
17 RRFIYPLR 0.19
18 HRFIYPLR 0.19
19 HRRIYFLK 0.2
20 RRRIYFLK 0.2
21 RRFIYFLK 0.22
22 HRFIYFLK 0.22
23 HRRIHRLR 0.24
24 RRRIHRLR 0.24
25 RRFIHRLR 0.26
26 HRRIPFLR 0.26
27 RRRIPFLR 0.26
28 HRFIHRLR 0.26
29 HRYIHFLR 0.27
30 HRRIHPLR 0.27
31 RRYIHFLR 0.27
32 HRFIPFLR 0.28
33 RRRIHPLR 0.28
34 RRFIPFLR 0.28
35 HRFIHPLR 0.29
36 RRFIHPLR 0.3
37 HRRIHFLK 0.3
38 RRRIHFLK 0.31
39 HRYIYRLR 0.31
40 RRYIYRLR 0.31
41 HRFIHFLK 0.32
42 RRFIHFLK 0.33
43 HRYIYPLR 0.34
44 HRRIYRLK 0.34
45 RRYIYPLR 0.34
46 RRRIYRLK 0.34
47 RRFIYRLK 0.36
48 HRFIYRLK 0.36
49 RKRIYFLR 0.36
50 HKRIYFLR 0.36
51 HRRIYPLK 0.37
52 RRYIYFLK 0.37
53 HRYIYFLK 0.37
54 HKFIYFLR 0.38
55 RRRIYPLK 0.38
56 HRFIYPLK 0.39
57 RKFIYFLR 0.39
58 RRFIYPLK 0.4
59 HRRIPRLR 0.4
60 RRRIPRLR 0.4
61 HRYIHRLR 0.41
62 RRYIHRLR 0.41
63 HRFIPRLR 0.42
64 RRFIPRLR 0.42
65 HRYIPFLR 0.43
66 RRRIPPLR 0.43
67 HRRIPPLR 0.43
68 RRYIPFLR 0.43
69 HRRIHRLK 0.44
70 HRYIHPLR 0.44
71 RRRIHRLK 0.44
72 HRFIPPLR 0.45
73 RRFIPPLR 0.45
74 RRYIHPLR 0.45
75 HKRIHFLR 0.46
76 RRFIHRLK 0.46
77 HRRIPFLK 0.46
78 RRRIPFLK 0.46
79 HRFIHRLK 0.46
80 RKRIHFLR 0.47
81 HRYIHFLK 0.47
82 HRRIHPLK 0.47
83 MRRIYFLR 0.48
84 HRFIPFLK 0.48
85 HKFIHFLR 0.48
86 RRFIPFLK 0.48
87 HHRIYFLR 0.48
88 RRYIHFLK 0.48
89 RRRIHPLK 0.48
90 HRFIHPLK 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRIYRLR

3.41

-9.99

-6.58
2 RRFIYFLR

3.39

-9.95

-6.56
3 RRFIYFLK

3.43

-9.85

-6.42
4 HRFIYPLR

3.57

-9.97

-6.4
5 RRRIYPLR

3.46

-9.66

-6.2
6 HRFIYFLR

3.01

-9.2

-6.19
7 RRFIYRLR

3.79

-9.96

-6.17
8 HRRIPFLR

3.07

-9.17

-6.1
9 HRRIHPLR

2.77

-8.67

-5.9
10 HRRIYRLR

3.76

-9.64

-5.88
11 HRRIYFLK

3.66

-9.46

-5.8
12 HRRIYPLR

3.67

-9.45

-5.78
13 RRRIYFLR

3.7

-9.44

-5.74
14 RRRIPFLR

3.25

-8.94

-5.69
15 RRFIHFLR

2.86

-8.5

-5.64
16 RRFIYPLR

3.14

-8.68

-5.54
17 RRRIYFLK

3.31

-8.79

-5.48
18 HRFIYRLR

4.1

-9.55

-5.45
19 HRYIHFLR

2.46

-7.91

-5.45
20 RRYIYFLR

3.56

-8.82

-5.26
21 HRYIYFLR

3.69

-8.64

-4.95
22 HRRIHRLR

2.96

-7.61

-4.65
23 HRFIYFLK

3.76

-8.15

-4.39
24 RRRIHRLR

2.94

-7.12

-4.18
25 HRRIYFLR

3.94

-7.91

-3.97
26 HRFIHFLR

3.55

-7.22

-3.67
27 RRFIHRLR

2.96

-6.29

-3.33
28 HRFIHRLR

3.81

-6.17

-2.36
29 RRRIHFLR

3.48

-5.66

-2.18
30 HRRIHFLR

4.88

-6.66

-1.78

 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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