Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-15.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 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 3.840 ΔGbinding 0.660
TOTAL
 4.500
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.237
Van der Waals -3.180 Backbone clash 0.193
Electrostatics 0.082 Helix dipole 0.000
Solvation Polar 4.683 Water bridges 0.000
Solvation Hyd -4.387 Disulfide 0.000
VdW clashes 1.224 Electrost. Kon 0.075
Entropy sc 1.076 Part.cov.bonds 0.000
Entropy mc

3.400

 ΔGstability

80.028
       

Predicted ligand sequences for model [FUS1_1FYN-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 KPRMITKDM 0.0
2 KPRMITLDM 0.02
3 YPRMITKDM 0.06
4 KPRMITRDM 0.06
5 YPRMITLDM 0.08
6 MPRMITKDM 0.08
7 MPRMITLDM 0.1
8 YPRMITRDM 0.11
9 MPRMITRDM 0.13
10 KPPMITKDM 0.13
11 KPFMITKDM 0.13
12 KPPMITLDM 0.15
13 KPFMITLDM 0.15
14 KPFMITRDM 0.19
15 KPPMITRDM 0.19
16 YPPMITKDM 0.19
17 YPFMITKDM 0.19
18 MPPMITKDM 0.21
19 YPFMITLDM 0.21
20 YPPMITLDM 0.21
21 MPFMITKDM 0.21
22 MPFMITLDM 0.23
23 MPPMITLDM 0.23
24 YPFMITRDM 0.24
25 KPRMVTKDM 0.24
26 YPPMITRDM 0.24
27 MPPMITRDM 0.26
28 MPFMITRDM 0.26
29 KPRMRTKDM 0.27
30 KPRMVTLDM 0.27
31 YPRMVTKDM 0.3
32 KPRMRTLDM 0.3
33 KPRMVTRDM 0.3
34 MPRMVTKDM 0.32
35 YPRMVTLDM 0.32
36 YPRMRTKDM 0.33
37 KPRMRTRDM 0.33
38 MPRMVTLDM 0.34
39 KPRMITKKM 0.34
40 YPRMRTLDM 0.35
41 MPRMRTKDM 0.35
42 KPRMITLKM 0.36
43 KPRMITKDI 0.36
44 YPRMVTRDM 0.36
45 MPRMRTLDM 0.37
46 MPRMVTRDM 0.38
47 KPPMVTKDM 0.38
48 KPFMVTKDM 0.38
49 KPRMITLDI 0.39
50 YPRMRTRDM 0.39
51 KFRMITKDM 0.39
52 KPFMVTLDM 0.4
53 KPRMITRKM 0.4
54 KPPMVTLDM 0.4
55 YPRMITKKM 0.4
56 KFRMITLDM 0.41
57 KPFMRTKDM 0.41
58 MPRMRTRDM 0.41
59 KPPMRTKDM 0.41
60 MPRMITKKM 0.42
61 YPRMITKDI 0.42
62 KPRMITRDI 0.42
63 YPRMITLKM 0.42
64 YPFMVTKDM 0.43
65 YPPMVTKDM 0.43
66 KPFMRTLDM 0.43
67 KPFMVTRDM 0.43
68 KPPMRTLDM 0.43
69 KPPMVTRDM 0.43
70 MPRMITLKM 0.44
71 YPRMITLDI 0.44
72 MPRMITKDI 0.44
73 KIRMITKDM 0.45
74 MPPMVTKDM 0.45
75 YFRMITKDM 0.45
76 YPRMITRKM 0.45
77 KFRMITRDM 0.45
78 MPFMVTKDM 0.45
79 YPPMRTKDM 0.46
80 YPFMRTKDM 0.46
81 KPPMRTRDM 0.46
82 MPRMITLDI 0.46
83 YPPMVTLDM 0.46
84 KPFMRTRDM 0.46
85 YPFMVTLDM 0.46
86 KIRMITLDM 0.47
87 YFRMITLDM 0.47
88 KPFMITKKM 0.47
89 KPPMITKKM 0.47
90 MPRMITRKM 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPRMITLDM

2.87

-7.61

-4.74
2 YPFMITRDM

2.89

-7.3

-4.41
3 YPRMITKDM

2.86

-7.14

-4.28
4 YPPMITKDM

2.92

-7.09

-4.17
5 MPRMITRDM

2.24

-6.36

-4.12
6 KPRMITKDM

2.38

-6.34

-3.96
7 KPFMITRDM

2.29

-5.94

-3.65
8 KPRMITLDM

2.54

-5.94

-3.4
9 KPPMITLDM

2.45

-5.74

-3.29
10 KPRMRTKDM

2.53

-5.71

-3.18
11 MPRMITLDM

2.41

-5.45

-3.04
12 KPRMVTKDM

2.07

-4.93

-2.86
13 MPFMITKDM

3.26

-6.0

-2.74
14 YPPMITLDM

2.34

-5.06

-2.72
15 KPPMITRDM

2.63

-5.34

-2.71
16 KPFMITLDM

3.1

-5.78

-2.68
17 MPPMITRDM

2.52

-5.18

-2.66
18 MPFMITRDM

3.08

-5.69

-2.61
19 KPPMITKDM

2.41

-4.96

-2.55
20 KPRMVTLDM

2.49

-4.97

-2.48
21 KPRMITRDM

2.34

-4.76

-2.42
22 MPPMITLDM

3.06

-5.46

-2.4
23 YPRMITRDM

2.77

-4.83

-2.06
24 KPFMITKDM

3.32

-5.33

-2.01
25 MPPMITKDM

2.76

-4.73

-1.97
26 YPPMITRDM

2.91

-4.72

-1.81
27 MPFMITLDM

3.27

-5.04

-1.77
28 MPRMITKDM

3.79

-5.43

-1.64
29 YPFMITLDM

3.31

-4.65

-1.34
30 YPFMITKDM

3.51

-4.41

-0.9

 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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