Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-9.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    

(Help)

Intraclash 0.413 ΔGbinding -0.959
TOTAL
 -0.546
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.335
Van der Waals -3.431 Backbone clash 0.046
Electrostatics 0.289 Helix dipole 0.000
Solvation Polar 5.563 Water bridges -0.050
Solvation Hyd -4.351 Disulfide 0.000
VdW clashes 0.138 Electrost. Kon 0.231
Entropy sc 0.449 Part.cov.bonds 0.000
Entropy mc

2.916

 ΔGstability

59.456
       

Predicted ligand sequences for model [FUS1_1OV32-9.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_1OV32-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRIPRF 0.0
2 RRRRPPRF 0.01
3 RKRRIPRF 0.16
4 RKRRPPRF 0.17
5 RRRRIPRW 0.2
6 RRRRPPRW 0.21
7 RRRRIFRF 0.22
8 RRRRPFRF 0.23
9 RMRRIPRF 0.24
10 RMRRPPRF 0.25
11 RRRRIMRF 0.25
12 RRRRPMRF 0.26
13 RRRRVPRF 0.28
14 RRRRIPRY 0.35
15 RRWRIPRF 0.36
16 RKRRIPRW 0.36
17 RRRRPPRY 0.36
18 RRWRPPRF 0.37
19 RKRRPPRW 0.37
20 RKRRIFRF 0.38
21 RKRRPFRF 0.39
22 RKRRIMRF 0.41
23 RRRRIFRW 0.42
24 RKRRPMRF 0.42
25 RRRRPFRW 0.43
26 RKRRVPRF 0.44
27 RMRRIPRW 0.44
28 RRFRIPRF 0.44
29 RMRRPPRW 0.45
30 RRFRPPRF 0.45
31 RMRRIFRF 0.46
32 RRRRPMRW 0.46
33 RRRRIMRW 0.46
34 RMRRPFRF 0.47
35 RRRRVPRW 0.48
36 RMRRIMRF 0.49
37 RRRRVFRF 0.5
38 RMRRPMRF 0.5
39 RKRRIPRY 0.51
40 RKRRPPRY 0.51
41 RKWRIPRF 0.52
42 RMRRVPRF 0.52
43 RRRRVMRF 0.53
44 RKWRPPRF 0.53
45 RRRRIFRY 0.57
46 RRWRIPRW 0.57
47 RRWRPPRW 0.58
48 RRRRPFRY 0.58
49 RRWRIFRF 0.58
50 RKRRIFRW 0.58
51 RMRRIPRY 0.59
52 RRWRPFRF 0.59
53 RKRRPFRW 0.59
54 RKFRPPRF 0.6
55 RKFRIPRF 0.6
56 RMRRPPRY 0.6
57 RMWRIPRF 0.6
58 RRRRIMRY 0.6
59 RKRRIMRW 0.61
60 RMWRPPRF 0.61
61 RRRRPMRY 0.61
62 RRWRIMRF 0.61
63 RKRRPMRW 0.62
64 RRWRPMRF 0.62
65 RRRRVPRY 0.63
66 RKRRVPRW 0.64
67 RRWRVPRF 0.64
68 RRFRIPRW 0.64
69 RRFRPPRW 0.65
70 RMRRIFRW 0.66
71 RRFRIFRF 0.66
72 RKRRVFRF 0.66
73 RRFRPFRF 0.67
74 RMRRPFRW 0.67
75 RMFRIPRF 0.68
76 RMFRPPRF 0.69
77 RRFRIMRF 0.69
78 RKRRVMRF 0.69
79 RMRRPMRW 0.7
80 RRRRVFRW 0.7
81 RMRRIMRW 0.7
82 RRFRPMRF 0.7
83 RRWRIPRY 0.71
84 RRWRPPRY 0.72
85 RRFRVPRF 0.72
86 RMRRVPRW 0.72
87 RKWRIPRW 0.73
88 RRRRVMRW 0.73
89 RKWRPPRW 0.73
90 RKRRIFRY 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRRPPRY

1.58

-10.4

-8.82
2 RRFRPPRF

1.58

-10.23

-8.65
3 RRRRPPRW

1.51

-9.92

-8.41
4 RRRRIPRW

1.39

-9.59

-8.2
5 RMRRIPRW

2.13

-10.24

-8.11
6 RKRRIPRF

1.99

-9.85

-7.86
7 RRRRPPRF

1.45

-9.27

-7.82
8 RRRRIPRY

1.57

-9.12

-7.55
9 RRRRPFRF

1.48

-8.96

-7.48
10 RMRRPPRW

1.39

-8.76

-7.37
11 RRWRPPRF

1.73

-9.01

-7.28
12 RRRRVPRF

1.52

-8.55

-7.03
13 RMRRPPRF

1.67

-8.55

-6.88
14 RKRRPPRW

2.21

-9.03

-6.82
15 RRRRPFRW

1.5

-8.26

-6.76
16 RRRRIMRF

2.12

-8.84

-6.72
17 RKRRIPRW

1.44

-8.03

-6.59
18 RMRRIPRF

1.35

-7.92

-6.57
19 RRWRIPRF

2.34

-8.84

-6.5
20 RKRRPFRF

1.67

-8.16

-6.49
21 RRRRPMRF

1.63

-8.08

-6.45
22 RKRRPMRF

1.51

-7.72

-6.21
23 RRRRIFRW

1.72

-7.87

-6.15
24 RRRRIPRF

1.59

-7.59

-6.0
25 RKRRIFRF

1.27

-7.18

-5.91
26 RKRRIMRF

1.72

-7.39

-5.67
27 RRRRIFRF

1.72

-7.16

-5.44
28 RKRRPPRF

1.52

-6.88

-5.36
29 RKRRVPRF

1.39

-6.71

-5.32
30 RRFRIPRF

1.92

-7.02

-5.1

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER