Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-27.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
poly-Ala
A
G
 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 17.122 ΔGbinding -2.563
TOTAL
 14.559
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.147
Van der Waals -2.574 Backbone clash 0.040
Electrostatics -0.083 Helix dipole 0.000
Solvation Polar 3.248 Water bridges -0.035
Solvation Hyd -3.761 Disulfide 0.000
VdW clashes 0.261 Electrost. Kon -0.063
Entropy sc 0.516 Part.cov.bonds 0.000
Entropy mc

1.556

 ΔGstability

87.245
       

Predicted ligand sequences for model [FUS1_1FYN-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 MDRRMHIRR 0.0
2 MDRREHIRR 0.03
3 MDRRMHMRR 0.11
4 MDRREHMRR 0.15
5 MDRRMHIRW 0.17
6 MDKRMHIRR 0.2
7 MDRREHIRW 0.21
8 MDKREHIRR 0.23
9 MDRRMHIRK 0.25
10 MDRRMHMRW 0.29
11 MGRRMHIRR 0.29
12 MDRREHIRK 0.29
13 MDRRMHKRR 0.3
14 MDKRMHMRR 0.31
15 MGRREHIRR 0.32
16 MDRREHMRW 0.32
17 MDRREHKRR 0.33
18 MDKREHMRR 0.34
19 MDRRMHMRK 0.36
20 MDKRMHIRW 0.37
21 MDHRMHIRR 0.39
22 MDRRMRIRR 0.39
23 MGRRMHMRR 0.4
24 MDRREHMRK 0.4
25 MDKREHIRW 0.41
26 MDRRERIRR 0.42
27 MDHREHIRR 0.43
28 MGRREHMRR 0.43
29 MDKRMHIRK 0.45
30 MGRRMHIRW 0.46
31 MDRRMHKRW 0.47
32 MDKRMHMRW 0.48
33 MDKREHIRK 0.49
34 MGKRMHIRR 0.49
35 MGRREHIRW 0.5
36 MDHRMHMRR 0.5
37 MDKRMHKRR 0.5
38 MDRRMRMRR 0.5
39 MDRREHKRW 0.51
40 MGKREHIRR 0.52
41 MDKREHMRW 0.52
42 MDKREHKRR 0.53
43 MDRRERMRR 0.53
44 MDHREHMRR 0.54
45 MGRRMHIRK 0.54
46 MDRRMHKRK 0.55
47 MDKRMHMRK 0.56
48 MDRRMRIRW 0.56
49 MGRRMHMRW 0.57
50 MDHRMHIRW 0.57
51 MGRREHIRK 0.58
52 MGRRMHKRR 0.59
53 MDKRMRIRR 0.59
54 MDRREHKRK 0.59
55 MDHREHIRW 0.6
56 MGKRMHMRR 0.6
57 MDRRERIRW 0.6
58 MDKREHMRK 0.6
59 MGRREHMRW 0.61
60 MGRREHKRR 0.62
61 MDKRERIRR 0.62
62 MGKREHMRR 0.63
63 MDRRMRIRK 0.64
64 MGRRMHMRK 0.65
65 MDHRMHIRK 0.65
66 MGKRMHIRW 0.66
67 MDKRMHKRW 0.67
68 MDHREHIRK 0.68
69 MGRRMRIRR 0.68
70 MGHRMHIRR 0.68
71 MDHRMHMRW 0.68
72 MDRRERIRK 0.68
73 MDRRMRMRW 0.68
74 MGRREHMRK 0.69
75 MDHRMHKRR 0.69
76 MDRRMRKRR 0.69
77 MGKREHIRW 0.7
78 MDKRMRMRR 0.7
79 MGRRERIRR 0.71
80 MDKREHKRW 0.71
81 MDHREHMRW 0.71
82 MDRRERMRW 0.71
83 MDRRERKRR 0.72
84 MGHREHIRR 0.72
85 MDHREHKRR 0.73
86 MDKRERMRR 0.73
87 MGKRMHIRK 0.74
88 MDKRMHKRK 0.75
89 MDRRMRMRK 0.75
90 MGRRMHKRW 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MDKRMHIRW

3.85

-11.74

-7.89
2 MDRRMHIRW

4.59

-12.21

-7.62
3 MDRRMHMRR

4.95

-12.57

-7.62
4 MDKRMHMRR

4.04

-11.52

-7.48
5 MDRRMHIRK

3.95

-11.28

-7.33
6 MDRRMHKRR

4.05

-11.2

-7.15
7 MDKRMHIRK

4.03

-11.07

-7.04
8 MGRRMHIRW

3.76

-10.25

-6.49
9 MGRRMHMRR

4.87

-11.31

-6.44
10 MDRREHMRR

3.99

-10.17

-6.18
11 MDRREHIRW

4.88

-10.42

-5.54
12 MDRRMRIRR

6.19

-11.51

-5.32
13 MGRREHMRR

4.85

-10.15

-5.3
14 MDRREHMRK

4.58

-9.72

-5.14
15 MGRRMHIRR

5.24

-10.36

-5.12
16 MDHRMHIRR

6.98

-11.83

-4.85
17 MDKREHIRW

5.17

-10.02

-4.85
18 MDRRMHMRK

7.19

-11.75

-4.56
19 MDRRERIRR

4.84

-9.0

-4.16
20 MDRRMHMRW

6.85

-10.97

-4.12
21 MDRREHIRR

5.25

-9.26

-4.01
22 MDRREHMRW

5.31

-8.75

-3.44
23 MDRRMHIRR

8.13

-11.12

-2.99
24 MDKREHIRR

6.15

-9.0

-2.85
25 MDRREHIRK

5.24

-7.98

-2.74
26 MGRREHIRR

6.94

-9.44

-2.5
27 MDKRMHIRR

9.3

-11.38

-2.08
28 MDRREHKRR

6.43

-8.22

-1.79
29 MDKREHMRR

7.77

-7.8

-0.03
30 MDHREHIRR

8.74

-7.74

1.0

 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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