Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-10.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 2.588 ΔGbinding -0.768
TOTAL
 1.820
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.327
Van der Waals -2.156 Backbone clash 0.045
Electrostatics -0.014 Helix dipole 0.000
Solvation Polar 1.869 Water bridges -0.106
Solvation Hyd -3.316 Disulfide 0.000
VdW clashes 0.092 Electrost. Kon -0.089
Entropy sc 0.349 Part.cov.bonds 0.000
Entropy mc

2.275

 ΔGstability

113.373
       

Predicted ligand sequences for model [FUS1_1SHF-10.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-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRWHPMY 0.0
2 RRRWHRMY 0.0
3 RRRWHFMY 0.07
4 RRRWHPLY 0.13
5 RRRWHRLY 0.13
6 RRRWHFLY 0.2
7 RRRWWPMY 0.23
8 RRRWWRMY 0.23
9 RRRWHRWY 0.24
10 RRRWHPWY 0.24
11 RRRWWFMY 0.31
12 RRRWHFWY 0.32
13 RRRWWPLY 0.36
14 RNRWHPMY 0.36
15 RRRWWRLY 0.36
16 RRRWPPMY 0.36
17 RRRWPRMY 0.36
18 RNRWHRMY 0.36
19 RKRWHPMY 0.4
20 RKRWHRMY 0.4
21 RNRWHFMY 0.43
22 RRRWWFLY 0.43
23 RRRWPFMY 0.43
24 FRRWHRMY 0.47
25 RRRWWRWY 0.47
26 FRRWHPMY 0.47
27 RRRWWPWY 0.47
28 RKRWHFMY 0.47
29 RRRWPRLY 0.48
30 RNRWHRLY 0.49
31 RNRWHPLY 0.49
32 RRRWPPLY 0.49
33 RKRWHPLY 0.53
34 RKRWHRLY 0.53
35 FRRWHFMY 0.54
36 RRRWWFWY 0.55
37 RRRWPFLY 0.56
38 RNRWHFLY 0.56
39 RNRWWRMY 0.59
40 RNRWWPMY 0.59
41 RNRWHPWY 0.6
42 RRRWPRWY 0.6
43 RRRWPPWY 0.6
44 RNRWHRWY 0.6
45 FRRWHRLY 0.6
46 RKRWHFLY 0.6
47 FRRWHPLY 0.6
48 RKRWWPMY 0.63
49 RKRWWRMY 0.63
50 RKRWHPWY 0.64
51 RKRWHRWY 0.64
52 RNRWWFMY 0.66
53 RRRWPFWY 0.67
54 FRRWHFLY 0.67
55 RNRWHFWY 0.68
56 FRRWWPMY 0.7
57 FRRWWRMY 0.7
58 RKRWWFMY 0.7
59 FRRWHPWY 0.71
60 FRRWHRWY 0.71
61 RNRWWRLY 0.72
62 RNRWPRMY 0.72
63 RNRWWPLY 0.72
64 RKRWHFWY 0.72
65 RNRWPPMY 0.72
66 RKRWWPLY 0.76
67 RKRWPPMY 0.76
68 RKRWWRLY 0.76
69 RKRWPRMY 0.76
70 FRRWWFMY 0.77
71 FRRWHFWY 0.78
72 RNRWWFLY 0.79
73 RNRWPFMY 0.79
74 FRRWPRMY 0.83
75 RNRWWPWY 0.83
76 RKRWPFMY 0.83
77 FNRWHRMY 0.83
78 FNRWHPMY 0.83
79 FRRWWRLY 0.83
80 RKRWWFLY 0.83
81 RNRWWRWY 0.83
82 FRRWWPLY 0.83
83 FRRWPPMY 0.83
84 RNRWPPLY 0.84
85 RNRWPRLY 0.84
86 FKRWHRMY 0.87
87 FKRWHPMY 0.87
88 RKRWWRWY 0.87
89 RKRWWPWY 0.87
90 RKRWPRLY 0.88
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRWPFMY

4.1

-10.93

-6.83
2 RKRWHPMY

4.88

-10.3

-5.42
3 RRRWHPWY

4.76

-10.17

-5.41
4 RNRWHPMY

4.85

-10.08

-5.23
5 RRRWWPLY

3.7

-8.86

-5.16
6 RRRWHFLY

3.59

-8.74

-5.15
7 RRRWPRMY

4.46

-9.51

-5.05
8 RNRWHRMY

4.41

-9.17

-4.76
9 RRRWPPMY

4.72

-9.29

-4.57
10 RRRWWRLY

4.7

-9.26

-4.56
11 RRRWHPLY

3.86

-8.39

-4.53
12 RRRWHRWY

5.19

-9.7

-4.51
13 RRRWHRLY

4.83

-9.33

-4.5
14 RRRWHFMY

4.88

-9.1

-4.22
15 RRRWPRLY

5.12

-9.32

-4.2
16 RRRWHPMY

4.51

-8.68

-4.17
17 RKRWHRMY

4.54

-8.66

-4.12
18 RRRWWRMY

4.74

-8.74

-4.0
19 RRRWWPMY

4.66

-8.56

-3.9
20 RRRWHRMY

4.31

-8.1

-3.79
21 RRRWWFMY

5.06

-8.81

-3.75
22 RNRWHRLY

4.84

-8.26

-3.42
23 RNRWHFMY

5.2

-8.53

-3.33
24 RRRWWPWY

4.44

-7.76

-3.32
25 RRRWWFLY

4.74

-8.05

-3.31
26 RKRWHFMY

4.19

-7.24

-3.05
27 RRRWHFWY

4.29

-7.34

-3.05
28 RRRWWRWY

5.06

-7.42

-2.36
29 FRRWHRMY

4.55

-6.76

-2.21
30 FRRWHPMY

5.12

-6.03

-0.91

 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