Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-12.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 4.185 ΔGbinding -1.998
TOTAL
 2.187
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.335
Van der Waals -1.850 Backbone clash 0.006
Electrostatics -0.017 Helix dipole 0.000
Solvation Polar 2.119 Water bridges -0.000
Solvation Hyd -2.720 Disulfide 0.000
VdW clashes 0.287 Electrost. Kon -0.091
Entropy sc 0.385 Part.cov.bonds 0.000
Entropy mc

0.828

 ΔGstability

56.238
       

Predicted ligand sequences for model [FUS1_1OV32-12.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_1OV32-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFIPEWWR 0.0
2 RSIPEWWR 0.01
3 RRIPEWWR 0.01
4 RRIPDWWR 0.12
5 RFIPDWWR 0.12
6 RSIPDWWR 0.12
7 RFIPEWWK 0.19
8 RRIPEWWK 0.2
9 RSIPEWWK 0.2
10 KFIPEWWR 0.23
11 KRIPEWWR 0.23
12 KSIPEWWR 0.24
13 HFIPEWWR 0.25
14 HSIPEWWR 0.26
15 HRIPEWWR 0.26
16 RRIPDWWK 0.31
17 RFIPDWWK 0.31
18 RSIPDWWK 0.32
19 KFIPDWWR 0.34
20 RRIPRWWR 0.34
21 RFICEWWR 0.34
22 RFIPEWWP 0.34
23 RFIPRWWR 0.34
24 RRICEWWR 0.34
25 KRIPDWWR 0.35
26 RSIPRWWR 0.35
27 RSIPEWWP 0.35
28 RRIPEWWP 0.35
29 KSIPDWWR 0.35
30 RSICEWWR 0.35
31 HFIPDWWR 0.36
32 HRIPDWWR 0.37
33 HSIPDWWR 0.37
34 RFINEWWR 0.4
35 RRINEWWR 0.41
36 RSINEWWR 0.41
37 KFIPEWWK 0.42
38 KSIPEWWK 0.43
39 KRIPEWWK 0.43
40 RFIPEWRR 0.43
41 RRIPEWRR 0.44
42 RSIPEWRR 0.44
43 HFIPEWWK 0.44
44 RFICDWWR 0.45
45 HSIPEWWK 0.45
46 HRIPEWWK 0.45
47 RSICDWWR 0.46
48 RRICDWWR 0.46
49 RFIPDWWP 0.46
50 RRIPDWWP 0.47
51 RSIPDWWP 0.47
52 RRINDWWR 0.52
53 RFINDWWR 0.52
54 RSINDWWR 0.53
55 RFICEWWK 0.53
56 RFIPRWWK 0.53
57 KRIPDWWK 0.54
58 RSIPRWWK 0.54
59 KFIPDWWK 0.54
60 RRIPRWWK 0.54
61 KSIPDWWK 0.54
62 RSICEWWK 0.54
63 RRICEWWK 0.54
64 RFIPDWRR 0.55
65 RRIPDWRR 0.55
66 HRIPDWWK 0.56
67 RSIPDWRR 0.56
68 HFIPDWWK 0.56
69 KSICEWWR 0.57
70 HSIPDWWK 0.57
71 KRICEWWR 0.57
72 KRIPRWWR 0.57
73 KFICEWWR 0.57
74 KSIPRWWR 0.57
75 KFIPEWWP 0.57
76 KFIPRWWR 0.57
77 KSIPEWWP 0.58
78 KRIPEWWP 0.58
79 HFICEWWR 0.59
80 HRICEWWR 0.59
81 HFIPRWWR 0.59
82 HRIPRWWR 0.59
83 HFIPEWWP 0.59
84 RFINEWWK 0.59
85 HSIPRWWR 0.6
86 RSINEWWK 0.6
87 RRINEWWK 0.6
88 HSICEWWR 0.6
89 HSIPEWWP 0.6
90 HRIPEWWP 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFIPDWWR

1.34

-6.27

-4.93
2 KRIPDWWR

1.4

-6.33

-4.93
3 RSIPDWWR

1.4

-6.3

-4.9
4 RRIPDWWR

1.4

-6.19

-4.79
5 KFIPDWWR

1.49

-6.06

-4.57
6 KSIPDWWR

1.68

-6.24

-4.56
7 RFIPRWWR

1.48

-5.95

-4.47
8 RRIPRWWR

1.27

-5.7

-4.43
9 RFIPDWWK

1.48

-5.84

-4.36
10 RFIPEWWR

1.45

-5.81

-4.36
11 RSIPRWWR

1.38

-5.71

-4.33
12 KSIPEWWR

1.38

-5.7

-4.32
13 RSIPDWWK

1.41

-5.68

-4.27
14 RRIPDWWK

1.49

-5.74

-4.25
15 HRIPEWWR

1.14

-5.37

-4.23
16 RFICEWWR

1.37

-5.52

-4.15
17 KFIPEWWR

1.58

-5.7

-4.12
18 RFIPEWWK

1.14

-5.15

-4.01
19 KRIPEWWR

1.23

-5.16

-3.93
20 RRIPEWWK

1.27

-5.19

-3.92
21 RRICEWWR

1.39

-5.29

-3.9
22 RFIPEWWP

1.18

-5.07

-3.89
23 RSICEWWR

1.25

-5.02

-3.77
24 RSIPEWWR

1.53

-5.3

-3.77
25 RRIPEWWR

1.63

-5.35

-3.72
26 HFIPEWWR

1.38

-5.07

-3.69
27 HSIPEWWR

1.59

-5.19

-3.6
28 RSIPEWWP

2.12

-5.58

-3.46
29 RSIPEWWK

2.1

-5.5

-3.4
30 RRIPEWWP

2.96

-6.16

-3.2

 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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