Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-12.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 0.607 ΔGbinding -0.857
TOTAL
 -0.250
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.250
Van der Waals -1.634 Backbone clash 0.078
Electrostatics 0.003 Helix dipole 0.000
Solvation Polar 1.540 Water bridges 0.000
Solvation Hyd -2.507 Disulfide 0.000
VdW clashes 0.465 Electrost. Kon -0.042
Entropy sc 0.107 Part.cov.bonds 0.000
Entropy mc

0.962

 ΔGstability

90.790
       

Predicted ligand sequences for model [FUS1_1PWT-12.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_1PWT-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 HSWMPWRK 0.0
2 KSWMPWRK 0.0
3 HSWMRWRK 0.01
4 KSWMRWRK 0.01
5 HSWMEWRK 0.02
6 HTWMPWRK 0.02
7 KTWMPWRK 0.02
8 KSWMEWRK 0.02
9 HTWMRWRK 0.02
10 KTWMRWRK 0.02
11 HRWMPWRK 0.03
12 KRWMPWRK 0.03
13 KRWMRWRK 0.03
14 HRWMRWRK 0.03
15 KTWMEWRK 0.04
16 HTWMEWRK 0.04
17 KRWMEWRK 0.05
18 HSWMPWRR 0.05
19 HSWMRWRR 0.05
20 KSWMRWRR 0.05
21 HRWMEWRK 0.05
22 RSWMPWRK 0.05
23 KSWMPWRR 0.05
24 HTWMPWRR 0.06
25 RSWMRWRK 0.06
26 KTWMPWRR 0.06
27 RTWMPWRK 0.07
28 KSWMEWRR 0.07
29 HSWMEWRR 0.07
30 HRWMPWRR 0.07
31 HTWMRWRR 0.07
32 KRWMPWRR 0.07
33 RSWMEWRK 0.07
34 KTWMRWRR 0.07
35 RRWMRWRK 0.08
36 RRWMPWRK 0.08
37 RTWMRWRK 0.08
38 KRWMRWRR 0.08
39 HRWMRWRR 0.08
40 RTWMEWRK 0.09
41 KTWMEWRR 0.09
42 HTWMEWRR 0.09
43 KRWMEWRR 0.1
44 RRWMEWRK 0.1
45 HRWMEWRR 0.1
46 RSWMPWRR 0.1
47 RSWMRWRR 0.1
48 RTWMPWRR 0.11
49 RRWMPWRR 0.12
50 RSWMEWRR 0.12
51 RTWMRWRR 0.12
52 RRWMRWRR 0.13
53 RTWMEWRR 0.14
54 RRWMEWRR 0.15
55 HSWPPWRK 0.3
56 HSWPRWRK 0.3
57 KSWPRWRK 0.3
58 KSWPPWRK 0.3
59 KRWPPWRK 0.32
60 HSWPEWRK 0.32
61 HTWPPWRK 0.32
62 HTWPRWRK 0.32
63 KTWPRWRK 0.32
64 HRWPPWRK 0.32
65 KSWPEWRK 0.32
66 KTWPPWRK 0.32
67 HRWPRWRK 0.33
68 KRWPRWRK 0.33
69 HSWPPWRR 0.34
70 HSWMPWRW 0.34
71 KSWPPWRR 0.34
72 KTWPEWRK 0.34
73 KSWMPWRW 0.34
74 HTWPEWRK 0.34
75 RSWPPWRK 0.35
76 KRWPEWRK 0.35
77 HSWPRWRR 0.35
78 RSWPRWRK 0.35
79 HSWMRWRW 0.35
80 KSWPRWRR 0.35
81 KSWMRWRW 0.35
82 HRWPEWRK 0.35
83 KSWPEWRR 0.36
84 HTWPPWRR 0.36
85 HSWPEWRR 0.36
86 HTWMPWRW 0.36
87 RTWPPWRK 0.36
88 KTWMPWRW 0.36
89 KTWPPWRR 0.36
90 KTWPRWRR 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRWMRWRK

1.66

-4.92

-3.26
2 HRWMEWRK

2.08

-4.77

-2.69
3 KRWMRWRK

2.21

-4.89

-2.68
4 KRWMPWRK

1.94

-4.41

-2.47
5 HTWMEWRK

1.64

-3.99

-2.35
6 HSWMRWRK

1.79

-4.09

-2.3
7 HRWMPWRR

2.53

-4.74

-2.21
8 HSWMPWRK

2.05

-4.25

-2.2
9 KSWMRWRK

1.89

-3.96

-2.07
10 KRWMEWRK

2.65

-4.67

-2.02
11 KTWMPWRR

2.04

-4.05

-2.01
12 HRWMPWRK

2.84

-4.76

-1.92
13 KTWMPWRK

2.4

-4.26

-1.86
14 RSWMRWRK

2.7

-4.44

-1.74
15 HTWMRWRK

2.6

-4.28

-1.68
16 RSWMPWRK

2.81

-4.48

-1.67
17 HSWMRWRR

2.72

-4.37

-1.65
18 KSWMEWRR

2.7

-4.33

-1.63
19 KSWMPWRR

2.67

-4.2

-1.53
20 KSWMPWRK

2.72

-4.24

-1.52
21 KSWMRWRR

2.61

-4.13

-1.52
22 RTWMPWRK

3.08

-4.52

-1.44
23 HTWMPWRR

2.86

-4.29

-1.43
24 KTWMRWRK

2.72

-4.13

-1.41
25 KSWMEWRK

2.84

-4.16

-1.32
26 HSWMEWRR

2.85

-4.17

-1.32
27 HTWMPWRK

2.77

-4.02

-1.25
28 HSWMPWRR

2.79

-3.87

-1.08
29 KTWMEWRK

3.23

-4.26

-1.03
30 HSWMEWRK

6.36

-3.65

2.71

 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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