Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-19.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    

(Help)

Intraclash 8.467 ΔGbinding -0.563
TOTAL
 7.904
Backbone Hb -3.050 Cis_bond 0.000
Sidechain Hb -3.050 Torsional clash 0.471
Van der Waals -5.150 Backbone clash 0.016
Electrostatics 0.365 Helix dipole 0.000
Solvation Polar 7.251 Water bridges 0.000
Solvation Hyd -7.113 Disulfide 0.000
VdW clashes 4.030 Electrost. Kon 0.231
Entropy sc 2.265 Part.cov.bonds 0.000
Entropy mc

3.185

 ΔGstability

85.901
       

Predicted ligand sequences for model [FUS1_1FYN-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 IRRNRGEWL 0.0
2 IRRTRGEWL 0.01
3 IRRNYGEWL 0.04
4 IRRTYGEWL 0.05
5 IRINRGEWL 0.06
6 IRITRGEWL 0.07
7 IRWNRGEWL 0.09
8 IRINYGEWL 0.1
9 IRRNRGEWF 0.1
10 IRWTRGEWL 0.1
11 IRRTRGEWF 0.11
12 IRITYGEWL 0.11
13 IRRNYGEWF 0.14
14 IRWNYGEWL 0.14
15 IRWTYGEWL 0.15
16 IRRTYGEWF 0.15
17 IRINRGEWF 0.16
18 IRITRGEWF 0.17
19 IRRNRGDWL 0.18
20 IRRTRGDWL 0.19
21 IRRNRGMWL 0.19
22 IRWNRGEWF 0.2
23 IRWTRGEWF 0.2
24 IRRTRGMWL 0.2
25 IRINYGEWF 0.21
26 IRITYGEWF 0.21
27 IRRNYGDWL 0.22
28 IRRNYGMWL 0.23
29 IRRTYGDWL 0.23
30 IRWNYGEWF 0.24
31 IRINRGDWL 0.24
32 IRRTYGMWL 0.24
33 IRITRGDWL 0.25
34 IRWTYGEWF 0.25
35 IRINRGMWL 0.25
36 IRITRGMWL 0.26
37 IRRNMGEWL 0.27
38 IRWNRGMWL 0.28
39 IRWTRGDWL 0.28
40 IRRTMGEWL 0.28
41 IRRNRGDWF 0.28
42 IRWNRGDWL 0.28
43 IRINYGDWL 0.28
44 IRRNRGMWF 0.29
45 IRWTRGMWL 0.29
46 IRITYGDWL 0.29
47 IRINYGMWL 0.29
48 IRRTRGDWF 0.29
49 IRRTRGMWF 0.3
50 IRITYGMWL 0.3
51 IRWNYGDWL 0.32
52 IRRNYGMWF 0.33
53 IRRTRGEWR 0.33
54 IRRNYGDWF 0.33
55 IRWTYGDWL 0.33
56 IRWNYGMWL 0.33
57 IRRTYGDWF 0.33
58 IRRNRGEWR 0.33
59 IRINMGEWL 0.33
60 IRINRGDWF 0.34
61 IRWTYGMWL 0.34
62 IRRTYGMWF 0.34
63 IRITMGEWL 0.34
64 IRITRGDWF 0.35
65 IRINRGMWF 0.35
66 IRWNMGEWL 0.36
67 IRITRGMWF 0.36
68 IRRNYGEWR 0.37
69 IRWTMGEWL 0.37
70 IRRNMGEWF 0.37
71 IRWNRGDWF 0.38
72 IRRTMGEWF 0.38
73 IRRTYGEWR 0.38
74 IRWNRGMWF 0.39
75 IRWTRGMWF 0.39
76 IRINRGEWR 0.39
77 IRINYGDWF 0.39
78 IRWTRGDWF 0.39
79 IRITRGEWR 0.4
80 IRITYGMWF 0.4
81 IRITYGDWF 0.4
82 IRINYGMWF 0.4
83 IRWNRGEWR 0.42
84 IRWNYGDWF 0.42
85 IRWTYGDWF 0.43
86 IRINYGEWR 0.43
87 IRWNYGMWF 0.43
88 IRWTRGEWR 0.43
89 IRINMGEWF 0.43
90 IRITYGEWR 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 IRRTRGEWF

4.78

-5.77

-0.99
2 IRITRGEWL

5.14

-5.57

-0.43
3 IRITRGEWF

4.88

-5.05

-0.17
4 IRINYGEWL

4.2

-4.09

0.11
5 IRWNRGEWL

5.13

-4.96

0.17
6 IRRNRGEWL

4.86

-4.65

0.21
7 IRWTYGEWL

4.2

-3.59

0.61
8 IRRTRGDWL

5.15

-4.54

0.61
9 IRWNYGEWF

4.37

-3.67

0.7
10 IRRNYGEWL

4.57

-3.83

0.74
11 IRITYGEWL

4.42

-3.58

0.84
12 IRRNYGEWF

4.46

-3.47

0.99
13 IRWNRGEWF

4.86

-3.75

1.11
14 IRRNRGEWF

5.16

-3.96

1.2
15 IRRNRGDWL

4.89

-3.62

1.27
16 IRINRGEWF

4.81

-3.52

1.29
17 IRWTRGEWF

5.56

-4.24

1.32
18 IRINYGEWF

4.0

-2.66

1.34
19 IRITYGEWF

4.24

-2.9

1.34
20 IRRTRGEWL

4.94

-3.54

1.4
21 IRWNYGEWL

4.42

-2.96

1.46
22 IRRTYGEWF

5.08

-3.6

1.48
23 IRRTRGMWL

5.02

-3.49

1.53
24 IRRNYGMWL

4.56

-2.92

1.64
25 IRRTYGEWL

4.78

-3.11

1.67
26 IRWTRGEWL

5.51

-3.44

2.07
27 IRRNYGDWL

4.54

-2.4

2.14
28 IRINRGEWL

5.57

-3.34

2.23
29 IRRTYGDWL

4.93

-2.46

2.47
30 IRRNRGMWL

5.49

-2.92

2.57

 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