Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-28.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 10
poly-Ala A A
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 6.831 ΔGbinding -0.909
TOTAL
 5.922
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.788
Van der Waals -3.927 Backbone clash 0.168
Electrostatics 0.142 Helix dipole 0.000
Solvation Polar 4.097 Water bridges -0.108
Solvation Hyd -5.981 Disulfide 0.000
VdW clashes 0.624 Electrost. Kon 0.193
Entropy sc 0.549 Part.cov.bonds 0.000
Entropy mc

3.990

 ΔGstability

95.010
       

Predicted ligand sequences for model [FUS1_1PWT-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKPRYPTRYC 0.0
2 RKPRYPTPYC 0.01
3 RKPRYRTRYC 0.03
4 RKPRYRTPYC 0.04
5 RKRRYPTRYC 0.07
6 RKRRYPTPYC 0.08
7 RKRRYRTRYC 0.09
8 RKPRYPTKYC 0.09
9 RKRRYRTPYC 0.11
10 RKPRYRTKYC 0.12
11 RKPRYKTRYC 0.15
12 RKKRYPTRYC 0.16
13 RKPRYKTPYC 0.16
14 RKRRYPTKYC 0.16
15 RKKRYPTPYC 0.17
16 RKRRYRTKYC 0.18
17 RKKRYRTRYC 0.19
18 RKKRYRTPYC 0.2
19 RKRRYKTRYC 0.21
20 RKRRYKTPYC 0.23
21 RKPRYKTKYC 0.24
22 RKKRYPTKYC 0.25
23 RKKRYRTKYC 0.28
24 RHPRYPTRYC 0.29
25 RRPRYPTRYC 0.3
26 WKPRYPTRYC 0.3
27 RHPRYPTPYC 0.31
28 RKRRYKTKYC 0.31
29 RKKRYKTRYC 0.31
30 RHPRYRTRYC 0.32
31 WKPRYPTPYC 0.32
32 RRPRYPTPYC 0.32
33 RKKRYKTPYC 0.32
34 WKPRYRTRYC 0.33
35 RRPRYRTRYC 0.33
36 RHPRYRTPYC 0.34
37 MKPRYPTRYC 0.34
38 RKPIYPTRYC 0.34
39 WKPRYRTPYC 0.35
40 RRPRYRTPYC 0.35
41 RKPIYPTPYC 0.35
42 RHRRYPTRYC 0.36
43 MKPRYPTPYC 0.36
44 RHRRYPTPYC 0.37
45 WKRRYPTRYC 0.37
46 MKPRYRTRYC 0.37
47 RRRRYPTRYC 0.37
48 RKPIYRTRYC 0.37
49 RHPRYPTKYC 0.38
50 WKRRYPTPYC 0.38
51 RKPIYRTPYC 0.38
52 RRRRYPTPYC 0.38
53 MKPRYRTPYC 0.39
54 RHRRYRTRYC 0.39
55 WKPRYPTKYC 0.39
56 RRRRYRTRYC 0.4
57 RKKRYKTKYC 0.4
58 WKRRYRTRYC 0.4
59 RRPRYPTKYC 0.4
60 RHRRYRTPYC 0.4
61 RKRIYPTRYC 0.4
62 RHPRYRTKYC 0.41
63 MKRRYPTRYC 0.41
64 WKRRYRTPYC 0.41
65 RRRRYRTPYC 0.41
66 MKRRYPTPYC 0.42
67 WKPRYRTKYC 0.42
68 RRPRYRTKYC 0.42
69 RKRIYPTPYC 0.42
70 RKPIYPTKYC 0.43
71 RKRIYRTRYC 0.43
72 RHPRYKTRYC 0.44
73 MKRRYRTRYC 0.44
74 MKPRYPTKYC 0.44
75 RRPRYKTRYC 0.45
76 RHKRYPTRYC 0.45
77 RHRRYPTKYC 0.45
78 RKRIYRTPYC 0.45
79 MKRRYRTPYC 0.45
80 WKPRYKTRYC 0.45
81 RKPIYRTKYC 0.46
82 WKKRYPTRYC 0.46
83 MKPRYRTKYC 0.46
84 RRKRYPTRYC 0.46
85 RHPRYKTPYC 0.46
86 WKRRYPTKYC 0.46
87 RRRRYPTKYC 0.46
88 RRPRYKTPYC 0.47
89 RHKRYPTPYC 0.47
90 WKPRYKTPYC 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKKRYRTKYC

5.13

-11.22

-6.09
2 RKRRYPTRYC

3.74

-9.79

-6.05
3 RKRRYPTKYC

4.95

-10.96

-6.01
4 RKRRYRTRYC

4.34

-9.91

-5.57
5 RRPRYPTRYC

5.07

-10.17

-5.1
6 RKPRYPTRYC

4.23

-9.23

-5.0
7 RKPRYRTKYC

4.47

-9.07

-4.6
8 RKKRYPTKYC

4.83

-9.32

-4.49
9 RKRRYPTPYC

4.16

-8.54

-4.38
10 RKPRYPTKYC

4.98

-9.32

-4.34
11 RKKRYKTRYC

4.85

-9.15

-4.3
12 RKRRYKTRYC

4.82

-9.08

-4.26
13 RKRRYKTKYC

5.24

-9.46

-4.22
14 RKPRYKTRYC

5.01

-9.22

-4.21
15 RKKRYRTRYC

5.1

-9.31

-4.21
16 RHPRYPTPYC

4.45

-8.66

-4.21
17 WKPRYPTRYC

4.89

-9.04

-4.15
18 RKPRYRTPYC

4.34

-8.2

-3.86
19 RKRRYRTPYC

5.45

-9.24

-3.79
20 RHPRYPTRYC

4.89

-8.64

-3.75
21 RKKRYRTPYC

5.8

-9.48

-3.68
22 RKKRYPTRYC

5.63

-9.25

-3.62
23 RKPRYKTKYC

4.96

-8.37

-3.41
24 RKRRYKTPYC

5.68

-9.08

-3.4
25 RKPRYRTRYC

5.68

-9.07

-3.39
26 RKRRYRTKYC

5.19

-8.44

-3.25
27 RKPRYPTPYC

5.62

-8.79

-3.17
28 RKPRYKTPYC

5.49

-8.54

-3.05
29 RHPRYRTRYC

4.05

-6.8

-2.75
30 RKKRYPTPYC

5.14

-7.51

-2.37

 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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