Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-8.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    

(Help)

Intraclash 7.603 ΔGbinding 0.580
TOTAL
 8.183
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.520
Van der Waals -2.885 Backbone clash 0.021
Electrostatics 0.126 Helix dipole 0.000
Solvation Polar 4.704 Water bridges 0.000
Solvation Hyd -3.612 Disulfide 0.000
VdW clashes 0.393 Electrost. Kon 0.025
Entropy sc 0.220 Part.cov.bonds 0.000
Entropy mc

2.865

 ΔGstability

81.078
       

Predicted ligand sequences for model [FUS1_1FYN-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRFRKPPF 0.0
2 HRFRKPPF 0.01
3 WRFRKPPF 0.04
4 KRMRKPPF 0.14
5 HRMRKPPF 0.15
6 KRFRKIPF 0.15
7 HRFRKIPF 0.17
8 WRMRKPPF 0.18
9 WRFRKIPF 0.2
10 KRFRLPPF 0.22
11 HRFRLPPF 0.23
12 KRFRMPPF 0.24
13 KRFRKPPM 0.24
14 HRFRKPPM 0.25
15 HRFRMPPF 0.25
16 WRFRLPPF 0.27
17 WRFRMPPF 0.28
18 WRFRKPPM 0.28
19 KRMRKIPF 0.3
20 HRMRKIPF 0.31
21 WRMRKIPF 0.34
22 KRMRLPPF 0.36
23 HRMRLPPF 0.37
24 KRMRKPPM 0.38
25 KRMRMPPF 0.38
26 KRFRLIPF 0.38
27 KRFRMIPF 0.39
28 HRMRKPPM 0.39
29 HRMRMPPF 0.39
30 KRFRKIPM 0.39
31 KRFRKPRF 0.39
32 HRFRLIPF 0.39
33 HRFRKPRF 0.4
34 KRFRKPGF 0.4
35 HRFRMIPF 0.4
36 WRMRLPPF 0.41
37 HRFRKPGF 0.41
38 HRFRKIPM 0.41
39 KRFRKVPF 0.41
40 KRFRKPPW 0.41
41 HRFRKPPW 0.42
42 WRMRMPPF 0.42
43 KRFKKPPF 0.42
44 WRMRKPPM 0.42
45 WRFRLIPF 0.42
46 HRFRKVPF 0.42
47 WRFRKPRF 0.43
48 WRFRMIPF 0.44
49 HRFKKPPF 0.44
50 WRFRKIPM 0.44
51 WRFRKPGF 0.44
52 KRFRLPPM 0.46
53 WRFRKVPF 0.46
54 WRFRKPPW 0.46
55 HRFRLPPM 0.47
56 KRFWKPPF 0.47
57 WRFKKPPF 0.47
58 HRFWKPPF 0.48
59 KRFRMPPM 0.48
60 HRFRMPPM 0.49
61 WRFWKPPF 0.51
62 WRFRLPPM 0.51
63 WRFRMPPM 0.52
64 KRMRLIPF 0.52
65 KRMRMIPF 0.53
66 KRMRKPRF 0.53
67 HRMRLIPF 0.53
68 KRMRKIPM 0.53
69 HRMRMIPF 0.54
70 HRMRKPRF 0.54
71 KRFRKIRF 0.54
72 KRMRKPGF 0.54
73 KRFRKIGF 0.55
74 KRMRKVPF 0.55
75 KRMRKPPW 0.55
76 HRFRKIRF 0.55
77 HRMRKPGF 0.55
78 HRMRKIPM 0.55
79 WRMRLIPF 0.56
80 HRMRKPPW 0.56
81 HRMRKVPF 0.56
82 HRFRKIGF 0.56
83 KRMKKPPF 0.56
84 KRFRKIPW 0.57
85 WRMRKPRF 0.57
86 WRMRMIPF 0.58
87 WRMRKIPM 0.58
88 HRMKKPPF 0.58
89 HRFRKIPW 0.58
90 WRMRKPGF 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRMRLPPF

5.23

-7.35

-2.12
2 WRFRMPPF

5.8

-7.69

-1.89
3 HRMRMPPF

5.73

-7.17

-1.44
4 KRFRLIPF

4.77

-6.04

-1.27
5 KRFRMPPF

4.66

-5.75

-1.09
6 HRFRLPPF

4.84

-5.88

-1.04
7 HRFRMPPF

4.84

-5.87

-1.03
8 KRMRMPPF

4.55

-5.44

-0.89
9 KRFRKPPF

4.65

-5.45

-0.8
10 WRFRLPPF

4.8

-5.35

-0.55
11 KRFRKIPF

5.46

-5.78

-0.32
12 HRMRKPPM

4.48

-4.69

-0.21
13 KRMRKPPF

4.88

-5.07

-0.19
14 WRFRKPPM

4.64

-4.78

-0.14
15 KRMRLPPF

5.4

-5.45

-0.05
16 KRFRLPPF

6.35

-6.17

0.18
17 KRMRKPPM

4.81

-4.51

0.3
18 HRMRKPPF

4.98

-4.56

0.42
19 HRFRKPPM

5.71

-5.24

0.47
20 KRFRKPPM

4.96

-4.26

0.7
21 HRFRKPPF

4.7

-3.88

0.82
22 WRMRKPPF

5.0

-4.14

0.86
23 WRFRKPPF

5.04

-4.06

0.98
24 HRFRKIPF

5.23

-3.6

1.63
25 KRFRMIPF

6.65

-4.93

1.72
26 WRFRKIPF

5.18

-3.0

2.18
27 HRMRKIPF

5.88

-3.68

2.2
28 KRMRKIPF

5.18

-2.76

2.42
29 WRMRKIPF

5.24

-2.52

2.72
30 KRFRKIPM

6.37

-3.25

3.12

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER