Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-15.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
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 3.905 ΔGbinding -0.196
TOTAL
 3.709
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.192
Van der Waals -2.831 Backbone clash 0.252
Electrostatics 0.169 Helix dipole 0.000
Solvation Polar 3.488 Water bridges -0.004
Solvation Hyd -4.082 Disulfide 0.000
VdW clashes 0.060 Electrost. Kon 0.195
Entropy sc 0.486 Part.cov.bonds 0.000
Entropy mc

3.407

 ΔGstability

89.852
       

Predicted ligand sequences for model [FUS1_1PWT-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 HWFFIMRDW 0.0
2 HWFFIMKDW 0.0
3 HIFFIMKDW 0.02
4 HIFFIMRDW 0.02
5 HWWFIMRDW 0.04
6 HWWFIMKDW 0.04
7 HWYFIMRDW 0.05
8 HWYFIMKDW 0.05
9 HIWFIMKDW 0.06
10 HIWFIMRDW 0.06
11 HIYFIMKDW 0.07
12 HIYFIMRDW 0.07
13 HWFFIMLDW 0.08
14 HIFFIMLDW 0.1
15 HWFFIMKIW 0.11
16 HWYFIMLDW 0.12
17 HWFFIMRIW 0.12
18 HWWFIMLDW 0.12
19 HIFFIMKIW 0.13
20 HIWFIMLDW 0.14
21 HIYFIMLDW 0.14
22 HIFFIMRIW 0.14
23 HWWFIMKIW 0.15
24 HWWFIMRIW 0.16
25 HWYFIMKIW 0.16
26 HWYFIMRIW 0.16
27 HIWFIMKIW 0.17
28 HIYFIMRIW 0.18
29 HIYFIMKIW 0.18
30 HIWFIMRIW 0.18
31 HWFFIMLIW 0.19
32 HWFFRMKDW 0.21
33 HIFFIMLIW 0.21
34 HWFFRMRDW 0.21
35 HWFFIMRDR 0.22
36 HWFFIMKDI 0.22
37 HWFFIMKDR 0.22
38 HIFFRMRDW 0.23
39 HWWFIMLIW 0.23
40 HWFFIMRDI 0.23
41 HIFFRMKDW 0.23
42 HWWFRMKDW 0.24
43 HWYFIMLIW 0.24
44 HIFFIMKDI 0.24
45 HIFFIMKDR 0.24
46 HIFFIMRDR 0.24
47 HWYFRMKDW 0.25
48 HIWFIMLIW 0.25
49 HIFFIMRDI 0.25
50 HWWFRMRDW 0.25
51 HKFFIMKDW 0.25
52 HWWFIMRDR 0.26
53 HKFFIMRDW 0.26
54 HWWFIMKDI 0.26
55 HWWFIMKDR 0.26
56 HIYFIMLIW 0.26
57 HWYFRMRDW 0.26
58 HWYFIMRDR 0.27
59 HWYFIMKDI 0.27
60 HWYFIMKDR 0.27
61 HWYFIMRDI 0.27
62 HWWFIMRDI 0.27
63 HIWFRMRDW 0.27
64 HIYFRMKDW 0.27
65 HIWFRMKDW 0.27
66 HWFFVMKDW 0.28
67 HWFFRMLDW 0.28
68 HIWFIMKDR 0.28
69 HWFFIMKKW 0.28
70 HIWFIMKDI 0.28
71 HIWFIMRDR 0.28
72 HIYFRMRDW 0.28
73 HWFFIMRKW 0.28
74 HIYFIMKDI 0.29
75 HIYFIMKDR 0.29
76 HWFFVMRDW 0.29
77 HIWFIMRDI 0.29
78 HIYFIMRDI 0.29
79 HIYFIMRDR 0.29
80 HKWFIMKDW 0.29
81 HIFFIMRKW 0.3
82 HIFFRMLDW 0.3
83 HKYFIMKDW 0.3
84 HWFFIMLDR 0.3
85 HWFFIMLDI 0.3
86 HKWFIMRDW 0.3
87 HIFFVMKDW 0.3
88 HKYFIMRDW 0.3
89 HIFFIMKKW 0.3
90 HIFFVMRDW 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HIWFIMRIW

2.24

-7.03

-4.79
2 HIWFIMKIW

2.29

-6.72

-4.43
3 HIFFIMKDW

2.14

-6.23

-4.09
4 HIWFIMRDW

2.64

-6.65

-4.01
5 HIWFIMKDW

2.23

-5.97

-3.74
6 HIFFIMRIW

2.3

-5.86

-3.56
7 HIWFIMLDW

2.16

-5.48

-3.32
8 HIYFIMLDW

2.02

-5.29

-3.27
9 HIFFIMRDW

2.2

-5.24

-3.04
10 HWWFIMKIW

2.66

-5.65

-2.99
11 HIYFIMRIW

2.92

-5.89

-2.97
12 HIYFIMKDW

2.73

-5.68

-2.95
13 HIYFIMRDW

2.73

-5.5

-2.77
14 HWFFIMLDW

2.27

-4.97

-2.7
15 HWYFIMRDW

2.98

-5.66

-2.68
16 HWWFIMKDW

2.44

-5.07

-2.63
17 HWFFIMRIW

2.61

-5.22

-2.61
18 HWYFIMLDW

2.41

-5.0

-2.59
19 HIFFIMLDW

2.25

-4.81

-2.56
20 HWFFIMRDW

2.5

-5.03

-2.53
21 HIYFIMKIW

2.94

-5.39

-2.45
22 HWWFIMRDW

3.53

-5.86

-2.33
23 HIFFIMKIW

3.0

-5.32

-2.32
24 HWFFIMKDW

2.54

-4.84

-2.3
25 HWWFIMRIW

2.36

-4.45

-2.09
26 HWFFIMKIW

3.46

-5.11

-1.65
27 HWWFIMLDW

3.12

-4.77

-1.65
28 HWYFIMKDW

3.02

-4.43

-1.41
29 HWYFIMRIW

2.99

-4.1

-1.11
30 HWYFIMKIW

3.04

-4.09

-1.05

 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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