Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala 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 1.523 ΔGbinding -0.601
TOTAL
 0.922
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.169
Van der Waals -1.596 Backbone clash -0.000
Electrostatics -0.074 Helix dipole 0.000
Solvation Polar 1.981 Water bridges 0.000
Solvation Hyd -2.189 Disulfide 0.000
VdW clashes 0.042 Electrost. Kon -0.072
Entropy sc 0.333 Part.cov.bonds 0.000
Entropy mc

2.080

 ΔGstability

110.685
       

Predicted ligand sequences for model [FUS1_1SHF-23.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_1SHF-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 NEMFPRM 0.0
2 NEMFPRR 0.06
3 NEMFRRM 0.07
4 NEMFPRW 0.07
5 NEMFRRR 0.14
6 NEMFRRW 0.15
7 NEMFPRI 0.16
8 REMFPRM 0.17
9 NEMLPRM 0.18
10 NEMFHRM 0.21
11 MEMFPRM 0.21
12 NEMFRRI 0.23
13 REMFPRR 0.23
14 REMFPRW 0.24
15 REMFRRM 0.24
16 NEMLPRR 0.24
17 NEMLPRW 0.25
18 NEMLRRM 0.25
19 MEMFPRR 0.27
20 NEMFHRR 0.28
21 NEMFHRW 0.29
22 MEMFPRW 0.29
23 MEMFRRM 0.29
24 REMFRRR 0.31
25 NEMLRRR 0.31
26 NEMFKRM 0.32
27 REMFRRW 0.32
28 REMFPRI 0.33
29 LEMFPRM 0.33
30 NEMLRRW 0.33
31 NEMLPRI 0.34
32 REMLPRM 0.35
33 MEMFRRR 0.35
34 MEMFRRW 0.36
35 MEMFPRI 0.37
36 NEMFHRI 0.37
37 REMFHRM 0.39
38 MEMLPRM 0.39
39 LEMFPRR 0.39
40 NEMFKRR 0.39
41 NEMLHRM 0.39
42 NEMFKRW 0.4
43 REMLPRR 0.41
44 NEMLRRI 0.41
45 REMFRRI 0.41
46 LEMFPRW 0.41
47 LEMFRRM 0.41
48 REMLPRW 0.42
49 REMLRRM 0.42
50 MEMFHRM 0.43
51 REMFHRR 0.45
52 MEMLPRR 0.45
53 NEMLHRR 0.45
54 MEMFRRI 0.45
55 REMFHRW 0.46
56 MEMLRRM 0.47
57 MEMLPRW 0.47
58 LEMFRRR 0.47
59 NEMLHRW 0.47
60 REMLRRR 0.48
61 NEMFKRI 0.48
62 LEMFRRW 0.48
63 MEMFHRR 0.49
64 REMFKRM 0.49
65 LEMFPRI 0.49
66 REMLRRW 0.5
67 MEMFHRW 0.5
68 NEMLKRM 0.5
69 LEMLPRM 0.51
70 REMLPRI 0.51
71 MEMLRRR 0.53
72 MEMFKRM 0.54
73 MEMLRRW 0.54
74 REMFHRI 0.55
75 LEMFHRM 0.55
76 MEMLPRI 0.55
77 NEMLHRI 0.55
78 NEMLKRR 0.56
79 REMFKRR 0.56
80 REMLHRM 0.56
81 REMFKRW 0.57
82 LEMLPRR 0.57
83 LEMFRRI 0.57
84 REMLRRI 0.58
85 NEMLKRW 0.58
86 LEMLPRW 0.59
87 LEMLRRM 0.59
88 MEMFHRI 0.59
89 MEMLHRM 0.6
90 MEMFKRR 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 REMFRRR

3.01

-9.43

-6.42
2 REMFRRM

2.68

-8.81

-6.13
3 NEMLRRM

1.86

-7.28

-5.42
4 MEMFRRM

3.06

-8.29

-5.23
5 MEMFPRM

3.17

-8.32

-5.15
6 MEMFPRR

2.97

-8.12

-5.15
7 NEMFHRM

1.81

-6.94

-5.13
8 NEMFRRR

1.76

-6.66

-4.9
9 NEMFHRR

1.87

-6.75

-4.88
10 NEMFHRW

1.92

-6.77

-4.85
11 NEMLRRW

1.92

-6.74

-4.82
12 NEMLPRM

2.16

-6.94

-4.78
13 NEMFRRW

1.48

-6.26

-4.78
14 NEMFRRI

1.7

-6.4

-4.7
15 MEMFPRW

3.29

-7.91

-4.62
16 NEMLRRR

1.99

-6.53

-4.54
17 NEMFPRM

2.41

-6.95

-4.54
18 LEMFPRM

3.27

-7.8

-4.53
19 NEMLPRW

1.53

-6.06

-4.53
20 NEMFRRM

1.81

-6.33

-4.52
21 NEMFPRI

1.64

-6.13

-4.49
22 NEMFPRR

2.69

-7.01

-4.32
23 NEMLPRR

2.21

-6.51

-4.3
24 REMFPRW

3.35

-7.57

-4.22
25 NEMFKRM

2.1

-6.32

-4.22
26 NEMFPRW

1.76

-5.11

-3.35
27 REMFPRR

4.89

-7.99

-3.1
28 REMFPRI

4.64

-7.53

-2.89
29 REMFPRM

4.7

-7.57

-2.87
30 REMFRRW

5.14

-7.81

-2.67

 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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