Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-28.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 3.486 ΔGbinding 3.659
TOTAL
 7.145
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.246
Van der Waals -5.116 Backbone clash 0.261
Electrostatics 0.220 Helix dipole 0.000
Solvation Polar 5.992 Water bridges -0.030
Solvation Hyd -7.422 Disulfide 0.000
VdW clashes 7.463 Electrost. Kon 0.276
Entropy sc 0.426 Part.cov.bonds 0.000
Entropy mc

2.879

 ΔGstability

67.473
       

Predicted ligand sequences for model [FUS1_1OV32-28.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_1OV32-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRLYRHRRR 0.0
2 RRRLYKHRRR 0.02
3 RRRLYRHKRR 0.03
4 RRRLYRHPRR 0.03
5 RRRLYKHPRR 0.05
6 RRRLYKHKRR 0.05
7 RRRIYRHRRR 0.07
8 RRRIYKHRRR 0.09
9 RRRLYPHRRR 0.09
10 RRRIYRHPRR 0.09
11 RRRIYRHKRR 0.1
12 RQRLYRHRRR 0.1
13 RRRIYKHPRR 0.11
14 RRRLYPHPRR 0.11
15 RQRLYKHRRR 0.12
16 RRRLYPHKRR 0.12
17 RQRLYRHPRR 0.12
18 RRRIYKHKRR 0.12
19 RRRLYRHRRK 0.13
20 RQRLYRHKRR 0.13
21 RQRLYKHPRR 0.14
22 RRRRYRHRRR 0.14
23 RRRIYPHRRR 0.15
24 RRRLYRHPRK 0.15
25 RRRLYKHRRK 0.15
26 RQRLYKHKRR 0.15
27 RQRIYRHRRR 0.16
28 RRRLYRHKRK 0.16
29 RRRRYKHRRR 0.16
30 RRRLYKHPRK 0.17
31 RRRRYRHKRR 0.17
32 RRRRYRHPRR 0.17
33 RRRIYPHPRR 0.18
34 RRRRYKHPRR 0.18
35 RQRLYPHRRR 0.18
36 RRRIYPHKRR 0.18
37 RRRLYKHKRK 0.18
38 RQRIYKHRRR 0.18
39 RRRIYRHRRK 0.19
40 RRRRYKHKRR 0.19
41 RQRIYRHPRR 0.19
42 RQRIYRHKRR 0.2
43 RQRIYKHPRR 0.21
44 RQRLYPHKRR 0.21
45 RRRIYKHRRK 0.21
46 RRRLYPHRRK 0.21
47 RQRLYPHPRR 0.21
48 RQRIYKHKRR 0.22
49 RRRIYRHPRK 0.22
50 RRRRYPHRRR 0.22
51 RRRIYRHKRK 0.23
52 RQRLYRHRRK 0.23
53 RRRLYPHPRK 0.24
54 RQRRYRHRRR 0.24
55 RQRLYKHRRK 0.24
56 RRRIYKHPRK 0.24
57 RRRLYPHKRK 0.25
58 RQRLYRHPRK 0.25
59 RRRLYRLRRR 0.25
60 RRRRYPHPRR 0.25
61 RQRIYPHRRR 0.25
62 RRRIYKHKRK 0.25
63 RQRRYRHPRR 0.26
64 RRRRYPHKRR 0.26
65 RQRRYKHRRR 0.26
66 RQRLYRHKRK 0.26
67 RQRLYKHPRK 0.27
68 RRRLYKLRRR 0.27
69 RRRLYRLPRR 0.27
70 RQRRYRHKRR 0.27
71 RRRRYRHRRK 0.27
72 RRRIYPHRRK 0.28
73 RQRIYPHPRR 0.28
74 RRRLWRHRRR 0.28
75 RQRIYPHKRR 0.28
76 RRRLYRLKRR 0.28
77 RQRLYKHKRK 0.28
78 RQRRYKHPRR 0.28
79 RQRIYRHRRK 0.29
80 RRRRYKHRRK 0.29
81 RRRLYKLPRR 0.29
82 RRRRYRHPRK 0.29
83 RQRRYKHKRR 0.29
84 RRRRYRHKRK 0.3
85 RRRLYKLKRR 0.3
86 RRRLWKHRRR 0.3
87 RRRIYPHPRK 0.31
88 RRRLWRHKRR 0.31
89 RRRLWRHPRR 0.31
90 RRRRYKHPRK 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RQRLYKHKRR

2.22

-9.38

-7.16
2 RRRRYKHRRR

1.71

-8.69

-6.98
3 RRRLYPHPRR

2.96

-9.88

-6.92
4 RRRLYRHRRR

1.93

-8.79

-6.86
5 RRRLYKHRRK

1.97

-8.77

-6.8
6 RRRLYKHKRR

1.85

-8.57

-6.72
7 RRRIYRHRRR

1.86

-8.56

-6.7
8 RQRLYKHRRR

1.48

-8.08

-6.6
9 RRRRYRHRRR

1.93

-8.41

-6.48
10 RRRLYPHRRR

1.69

-8.13

-6.44
11 RRRLYRHRRK

2.31

-8.69

-6.38
12 RRRLYRHPRR

2.45

-8.73

-6.28
13 RRRLYRHPRK

2.63

-8.78

-6.15
14 RRRLYRHKRR

2.48

-8.6

-6.12
15 RRRIYKHPRR

2.3

-8.3

-6.0
16 RRRIYPHRRR

2.15

-8.14

-5.99
17 RQRLYRHKRR

1.8

-7.67

-5.87
18 RRRLYRHKRK

2.33

-8.19

-5.86
19 RRRLYKHPRR

2.22

-7.92

-5.7
20 RRRLYKHRRR

1.98

-7.35

-5.37
21 RRRIYKHRRR

1.86

-6.8

-4.94
22 RRRIYRHKRR

2.32

-7.18

-4.86
23 RQRLYKHPRR

2.38

-6.82

-4.44
24 RRRIYKHKRR

2.12

-6.25

-4.13
25 RRRLYPHKRR

2.81

-6.92

-4.11
26 RQRLYRHRRR

2.26

-6.16

-3.9
27 RRRIYRHPRR

2.64

-6.33

-3.69
28 RQRIYRHRRR

1.9

-5.44

-3.54
29 RQRLYRHPRR

2.87

-6.33

-3.46
30 RRRLYKHPRK

3.94

-6.26

-2.32

 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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