Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-16.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
G
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 13.998 ΔGbinding 5.276
TOTAL
 19.274
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.957
Van der Waals -2.553 Backbone clash 0.178
Electrostatics 0.880 Helix dipole 0.000
Solvation Polar 3.145 Water bridges -0.020
Solvation Hyd -3.865 Disulfide 0.000
VdW clashes 2.536 Electrost. Kon 0.788
Entropy sc 0.377 Part.cov.bonds 0.000
Entropy mc

3.031

 ΔGstability

144.051
       

Predicted ligand sequences for model [FUS1_1SHF-16.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_1SHF-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RSPFPPIMW 0.0
2 RSPFPPIMG 0.05
3 RSHFPPIMW 0.13
4 RSPFKPIMW 0.13
5 RSPFPPIMY 0.15
6 RSPFHPIMW 0.15
7 RSHFPPIMG 0.18
8 RSPFKPIMG 0.18
9 RSPFHPIMG 0.2
10 RSFFPPIMW 0.21
11 RSFFPPIMG 0.26
12 RSHFKPIMW 0.27
13 RSHFHPIMW 0.28
14 RSHFPPIMY 0.29
15 RSPFKPIMY 0.29
16 RSPFHPIMY 0.3
17 RSHFKPIMG 0.32
18 RSHFHPIMG 0.33
19 RHPFPPIMW 0.34
20 RSFFKPIMW 0.35
21 RSFFHPIMW 0.36
22 RSFFPPIMY 0.36
23 RSFFKPIMG 0.39
24 RSPFPPMMW 0.39
25 RHPFPPIMG 0.39
26 RRPFPPIMW 0.4
27 RSFFHPIMG 0.41
28 RSHFKPIMY 0.42
29 FSPFPPIMW 0.43
30 RSPFPPMMG 0.43
31 RSHFHPIMY 0.43
32 RRPFPPIMG 0.44
33 RSPFPSIMW 0.45
34 FSPFPPIMG 0.47
35 RHHFPPIMW 0.48
36 RHPFKPIMW 0.48
37 RHPFHPIMW 0.49
38 RSPFPSIMG 0.5
39 RSFFKPIMY 0.5
40 RHPFPPIMY 0.5
41 RSFFHPIMY 0.51
42 RSHFPPMMW 0.52
43 RSPFKPMMW 0.52
44 RRHFPPIMW 0.53
45 RHHFPPIMG 0.53
46 RHPFKPIMG 0.53
47 RRPFKPIMW 0.53
48 RHPFHPIMG 0.54
49 RSPFPPMMY 0.54
50 RSPFHPMMW 0.54
51 RRPFHPIMW 0.54
52 RRPFPPIMY 0.55
53 FSHFPPIMW 0.56
54 FSPFKPIMW 0.56
55 RHFFPPIMW 0.56
56 FSPFHPIMW 0.57
57 RSHFPPMMG 0.57
58 RSPFKPMMG 0.57
59 FSPFPPIMY 0.58
60 RRHFPPIMG 0.58
61 RRPFKPIMG 0.58
62 RSPFHPMMG 0.58
63 RSHFPSIMW 0.59
64 RSPFKSIMW 0.59
65 RRPFHPIMG 0.59
66 RSPFHSIMW 0.6
67 RSFFPPMMW 0.6
68 RSPFPSIMY 0.6
69 RHFFPPIMG 0.6
70 RRFFPPIMW 0.61
71 FSHFPPIMG 0.61
72 FSPFKPIMG 0.61
73 RHHFKPIMW 0.61
74 FSPFHPIMG 0.62
75 RSHFPSIMG 0.63
76 RHHFPPIMY 0.63
77 RHHFHPIMW 0.63
78 RHPFKPIMY 0.63
79 RSPFKSIMG 0.63
80 FSFFPPIMW 0.64
81 RHPFHPIMY 0.64
82 RSPFHSIMG 0.65
83 RSFFPPMMG 0.65
84 RRFFPPIMG 0.66
85 RSHFKPMMW 0.66
86 RHHFKPIMG 0.66
87 RRHFKPIMW 0.66
88 RSHFPPMMY 0.67
89 RSFFPSIMW 0.67
90 RHHFHPIMG 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RSPFKPIMG

8.0

-5.78

2.22
2 RSHFHPIMG

7.98

-5.39

2.59
3 RSPFHPIMY

8.48

-5.88

2.6
4 RSPFKPIMY

7.92

-5.19

2.73
5 RSHFKPIMG

7.81

-4.91

2.9
6 RSHFKPIMW

8.12

-4.7

3.42
7 RSFFKPIMG

8.54

-4.24

4.3
8 RSFFHPIMG

7.57

-3.22

4.35
9 RHPFPPIMG

10.1

-5.74

4.36
10 RSPFPPIMG

10.58

-6.06

4.52
11 RSPFPPMMG

10.26

-5.64

4.62
12 RSPFHPIMG

7.72

-3.05

4.67
13 RSPFKPIMW

9.62

-4.65

4.97
14 RSFFPPIMW

11.22

-6.0

5.22
15 RRPFPPIMW

11.41

-6.01

5.4
16 RHPFPPIMW

11.37

-5.95

5.42
17 RSFFHPIMW

9.27

-3.83

5.44
18 RSPFHPIMW

8.37

-2.87

5.5
19 RSHFPPIMG

10.58

-5.07

5.51
20 RSHFHPIMW

9.27

-3.75

5.52
21 RSHFKPIMY

12.12

-6.56

5.56
22 RSPFPPMMW

11.37

-5.73

5.64
23 RSFFPPIMG

10.55

-4.9

5.65
24 RSFFKPIMW

11.11

-4.23

6.88
25 RSHFPPIMY

12.26

-5.22

7.04
26 RSPFPPIMY

12.28

-5.1

7.18
27 RSHFPPIMW

12.25

-4.78

7.47
28 RSFFPPIMY

12.71

-5.11

7.6
29 RSPFPPIMW

13.39

-3.2

10.19
30 FSPFPPIMW

11.61

-1.05

10.56

 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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