Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-9.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 6.487 ΔGbinding 1.606
TOTAL
 8.093
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.452
Van der Waals -2.810 Backbone clash 0.014
Electrostatics 0.032 Helix dipole 0.000
Solvation Polar 4.768 Water bridges -0.143
Solvation Hyd -3.379 Disulfide 0.000
VdW clashes 0.680 Electrost. Kon -0.033
Entropy sc 0.785 Part.cov.bonds 0.000
Entropy mc

2.530

 ΔGstability

88.097
       

Predicted ligand sequences for model [FUS1_1FYN-9.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_1FYN-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPIPPCW 0.0
2 RRPIPPCF 0.05
3 RRPIPPCP 0.06
4 RRPIPFCW 0.15
5 RRFIPPCW 0.15
6 RRPIPECW 0.16
7 RRWIPPCW 0.16
8 RRPIPFCF 0.2
9 RRFIPPCF 0.2
10 RRPIPFCP 0.21
11 RRPIPECF 0.21
12 RRWIPPCF 0.21
13 RRFIPPCP 0.21
14 RRPIPECP 0.22
15 RRWIPPCP 0.22
16 RRPIIPCW 0.28
17 RRFIPFCW 0.3
18 RRFIPECW 0.31
19 RRWIPFCW 0.32
20 RRWIPECW 0.33
21 RRPIIPCF 0.33
22 RRPIIPCP 0.34
23 RRFIPFCF 0.35
24 RRPIPPSW 0.35
25 RKPIPPCW 0.36
26 RRFIPFCP 0.36
27 RRFIPECF 0.36
28 RRWIPFCF 0.37
29 RRFIPECP 0.37
30 RRWIPECF 0.38
31 RRWIPFCP 0.38
32 RRWIPECP 0.39
33 RRPIPPSF 0.4
34 RKPIPPCF 0.41
35 RRPIPPSP 0.41
36 RKPIPPCP 0.42
37 RRPMPPCW 0.42
38 RRFIIPCW 0.42
39 RRPIIFCW 0.43
40 RRWIIPCW 0.44
41 RRPIIECW 0.44
42 RRPIPPAW 0.44
43 RRPMPPCF 0.47
44 RRPIWPCW 0.48
45 RRPMPPCP 0.48
46 RRPIIFCF 0.48
47 RRFIIPCP 0.48
48 RRFIIPCF 0.48
49 RRWIIPCF 0.49
50 RRPIIFCP 0.49
51 RRPIIECF 0.49
52 RRPIPPAF 0.49
53 RRWIIPCP 0.5
54 RRFIPPSW 0.5
55 RRPIIECP 0.5
56 RRPIPPAP 0.5
57 RKPIPFCW 0.51
58 RRPIPFSW 0.51
59 RKFIPPCW 0.51
60 RKWIPPCW 0.52
61 RRPIPESW 0.52
62 RRWIPPSW 0.52
63 RKPIPECW 0.52
64 RRPIWPCF 0.53
65 RRPIWPCP 0.54
66 RRFIPPSF 0.55
67 RKFIPPCP 0.56
68 RRPIPFSF 0.56
69 RRFIPPSP 0.56
70 RRPIPFSP 0.56
71 RKPIPFCF 0.56
72 RKFIPPCF 0.56
73 RKWIPPCF 0.57
74 RRPMPFCW 0.57
75 RRPIPESF 0.57
76 RRWIPPSF 0.57
77 RKPIPFCP 0.57
78 RKPIPECF 0.57
79 RRFMPPCW 0.57
80 RRFIIFCW 0.58
81 RRPIPESP 0.58
82 RRWIPPSP 0.58
83 RRWMPPCW 0.58
84 RRPMPECW 0.58
85 RRFIPPAW 0.58
86 RKWIPPCP 0.58
87 RKPIPECP 0.58
88 RRFIIECW 0.59
89 RRWIIFCW 0.59
90 RRPIPFAW 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPIPPCW

3.03

-5.99

-2.96
2 RKPIPPCW

3.86

-6.71

-2.85
3 RRPIPECF

4.59

-7.19

-2.6
4 RRPIPFCW

5.36

-7.53

-2.17
5 RRFIPPCF

2.92

-4.96

-2.04
6 RRFIPPCP

3.5

-5.37

-1.87
7 RRFIPPCW

3.46

-4.88

-1.42
8 RRFIPFCP

3.46

-4.87

-1.41
9 RRFIPECF

3.46

-4.83

-1.37
10 RRFIPFCF

3.79

-4.97

-1.18
11 RRWIPPCF

4.55

-5.71

-1.16
12 RRPIIPCW

3.77

-4.86

-1.09
13 RRWIPECF

3.59

-4.67

-1.08
14 RRPIIPCP

3.76

-4.68

-0.92
15 RRPIIPCF

3.78

-4.66

-0.88
16 RRPIPFCF

5.34

-6.01

-0.67
17 RRFIPFCW

4.68

-5.3

-0.62
18 RRFIPECW

3.88

-4.44

-0.56
19 RRPIPPSW

5.39

-5.92

-0.53
20 RRPIPECW

4.36

-4.89

-0.53
21 RRPIPFCP

4.65

-4.85

-0.2
22 RRFIPECP

5.19

-5.25

-0.06
23 RRPIPECP

6.02

-5.88

0.14
24 RRPIPPCP

5.63

-5.43

0.2
25 RRPIPPCF

5.06

-4.64

0.42
26 RRWIPFCW

5.56

-5.12

0.44
27 RRWIPECW

5.36

-4.84

0.52
28 RRWIPFCF

5.54

-4.96

0.58
29 RRWIPPCW

5.71

-4.98

0.73
30 RRWIPPCP

5.72

-4.44

1.28

 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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