Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-21.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
 G
G
 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 1.717 ΔGbinding -1.509
TOTAL
 0.208
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.529
Van der Waals -2.648 Backbone clash 0.139
Electrostatics 0.030 Helix dipole 0.000
Solvation Polar 2.690 Water bridges -0.073
Solvation Hyd -4.073 Disulfide 0.000
VdW clashes 0.531 Electrost. Kon -0.041
Entropy sc 0.379 Part.cov.bonds 0.000
Entropy mc

2.441

 ΔGstability

60.406
       

Predicted ligand sequences for model [FUS1_1OV32-21.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_1OV32-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERRWGRPNME 0.0
2 ERRWGRPNLE 0.01
3 ERKWGRPNME 0.04
4 ERKWGRPNLE 0.05
5 ERRWGRPNKE 0.06
6 ERKWGRPNKE 0.1
7 ERRWSRPNME 0.23
8 ERRWSRPNLE 0.24
9 ERRWQRPNME 0.26
10 ERKWSRPNME 0.27
11 ERRWQRPNLE 0.27
12 ERKWSRPNLE 0.28
13 ERRWSRPNKE 0.29
14 ERKWQRPNME 0.3
15 ERKWQRPNLE 0.31
16 ERRWGRTNME 0.31
17 ERRWGRTNLE 0.32
18 ERRWQRPNKE 0.32
19 ERKWSRPNKE 0.33
20 ERKWGRTNME 0.35
21 ERKWGRTNLE 0.36
22 ERKWQRPNKE 0.36
23 ERRIGRPNME 0.36
24 ERRWGRTNKE 0.37
25 ERRIGRPNLE 0.37
26 ERKIGRPNME 0.4
27 ERRWGRQNME 0.4
28 ERKIGRPNLE 0.41
29 ERRWGRQNLE 0.41
30 ERKWGRTNKE 0.41
31 ERRIGRPNKE 0.42
32 ERKWGRQNME 0.44
33 RRRWGRPNME 0.44
34 ERKWGRQNLE 0.46
35 ERRWGRQNKE 0.46
36 ERKIGRPNKE 0.46
37 RRRWGRPNLE 0.46
38 RRKWGRPNME 0.48
39 ERKWGRQNKE 0.5
40 RRRWGRPNKE 0.5
41 RRKWGRPNLE 0.5
42 ERRWSRTNME 0.53
43 RRKWGRPNKE 0.54
44 ERRWSRTNLE 0.54
45 ERRWQRTNME 0.56
46 ERRWQRTNLE 0.57
47 ERKWSRTNME 0.57
48 ERKWSRTNLE 0.58
49 ERRISRPNME 0.58
50 ERRISRPNLE 0.59
51 ERRWSRTNKE 0.59
52 ERKWQRTNME 0.6
53 ERRIQRPNME 0.61
54 ERRIQRPNLE 0.62
55 ERKWQRTNLE 0.62
56 ERRWQRTNKE 0.62
57 ERKISRPNME 0.62
58 ERRWSRQNME 0.63
59 ERKWSRTNKE 0.63
60 ERRISRPNKE 0.64
61 ERRWSRQNLE 0.64
62 ERKISRPNLE 0.64
63 ERKWQRTNKE 0.66
64 ERRIGRTNME 0.66
65 ERRWQRQNME 0.66
66 ERKIQRPNME 0.66
67 ERRIQRPNKE 0.67
68 RRRWSRPNME 0.67
69 ERRWQRQNLE 0.67
70 ERKIQRPNLE 0.67
71 ERKWSRQNME 0.67
72 RRRWSRPNLE 0.68
73 ERKWSRQNLE 0.68
74 ERRIGRTNLE 0.68
75 ERKISRPNKE 0.68
76 ERRWSRQNKE 0.69
77 RRRWQRPNME 0.7
78 ERKIGRTNME 0.7
79 ERKWQRQNME 0.7
80 RRKWSRPNME 0.71
81 RRRWQRPNLE 0.71
82 ERKWQRQNLE 0.71
83 ERKIQRPNKE 0.72
84 RRKWSRPNLE 0.72
85 ERRIGRTNKE 0.72
86 ERRWQRQNKE 0.72
87 ERKIGRTNLE 0.72
88 RRRWSRPNKE 0.73
89 ERKWSRQNKE 0.73
90 RRKWQRPNME 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ERRIGRPNLE

3.08

-7.05

-3.97
2 ERRWQRPNME

4.19

-7.9

-3.71
3 ERKIGRPNME

3.14

-6.74

-3.6
4 ERKWGRTNME

4.01

-7.53

-3.52
5 ERKIGRPNLE

3.27

-6.77

-3.5
6 ERRWGRQNME

4.02

-7.38

-3.36
7 ERRWGRPNME

3.35

-6.71

-3.36
8 ERRWSRPNME

4.3

-7.52

-3.22
9 ERKWQRPNME

4.23

-7.43

-3.2
10 ERKWGRPNME

3.46

-6.49

-3.03
11 ERRWGRTNLE

4.01

-6.86

-2.85
12 ERRWGRTNME

3.53

-6.33

-2.8
13 ERRWGRQNLE

3.73

-6.42

-2.69
14 ERRIGRPNME

3.68

-6.34

-2.66
15 ERKWQRPNLE

4.1

-6.6

-2.5
16 ERKWGRPNLE

3.71

-6.12

-2.41
17 ERKWQRPNKE

4.34

-6.73

-2.39
18 ERRWSRPNLE

4.08

-6.46

-2.38
19 ERKWSRPNME

4.13

-6.47

-2.34
20 ERRWGRPNLE

3.86

-6.03

-2.17
21 ERRWQRPNKE

5.31

-7.44

-2.13
22 ERKWGRTNLE

3.16

-5.26

-2.1
23 ERKWSRPNLE

4.67

-6.6

-1.93
24 ERRWQRPNLE

4.49

-6.41

-1.92
25 ERKWGRPNKE

3.77

-5.31

-1.54
26 ERRWGRTNKE

4.13

-5.56

-1.43
27 ERKWGRTNKE

4.87

-5.89

-1.02
28 ERRWSRPNKE

5.0

-5.66

-0.66
29 ERRWGRPNKE

4.5

-5.02

-0.52
30 ERKWSRPNKE

5.72

-4.4

1.32

 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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