Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-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 3.578 ΔGbinding 0.000
TOTAL
 3.578
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.278
Van der Waals -2.450 Backbone clash 0.127
Electrostatics 0.066 Helix dipole 0.000
Solvation Polar 2.400 Water bridges 0.000
Solvation Hyd -3.472 Disulfide 0.000
VdW clashes 0.329 Electrost. Kon 0.075
Entropy sc 0.156 Part.cov.bonds 0.000
Entropy mc

2.618

 ΔGstability

91.553
       

Predicted ligand sequences for model [FUS1_1PWT-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_1PWT-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRYMYPRR 0.0
2 RRPMYPRR 0.02
3 RRYMYRRR 0.07
4 RRPMYRRR 0.09
5 RRWMYPRR 0.11
6 RRFMYPRR 0.12
7 RRFMYRRR 0.18
8 RRWMYRRR 0.18
9 RRYIYPRR 0.19
10 RRYFYPRR 0.2
11 RRYMYFRR 0.2
12 RRPIYPRR 0.21
13 RRYMYERR 0.21
14 RRPMYFRR 0.22
15 RRPFYPRR 0.22
16 RRPMYERR 0.23
17 RRYIYRRR 0.26
18 RRYFYRRR 0.27
19 RRPIYRRR 0.28
20 RRPFYRRR 0.29
21 RRYMKPRR 0.3
22 RRWIYPRR 0.31
23 RRFIYPRR 0.31
24 RRWFYPRR 0.32
25 RRWMYFRR 0.32
26 RRFFYPRR 0.32
27 RRFMYFRR 0.32
28 RRFMYERR 0.32
29 RRWMYERR 0.32
30 RRPMKPRR 0.32
31 RRYMWPRR 0.34
32 RRPMWPRR 0.36
33 RRYMKRRR 0.37
34 RRFIYRRR 0.38
35 RRWIYRRR 0.38
36 RRWFYRRR 0.39
37 RRFFYRRR 0.39
38 RRPMKRRR 0.39
39 RRYIYERR 0.4
40 RRYIYFRR 0.4
41 RRPIYFRR 0.41
42 RRYFYERR 0.41
43 RRWMKPRR 0.41
44 RRYMWRRR 0.41
45 RRYFYFRR 0.41
46 RRPFYFRR 0.42
47 RRPIYERR 0.42
48 RRFMKPRR 0.42
49 RRPMWRRR 0.43
50 RRPFYERR 0.43
51 RRWMWPRR 0.46
52 RRFMWPRR 0.46
53 RRWMKRRR 0.48
54 RRYIKPRR 0.49
55 RRFMKRRR 0.49
56 RRYFKPRR 0.5
57 RRYMKERR 0.51
58 RRYMKFRR 0.51
59 RRFIYFRR 0.51
60 RRWIYFRR 0.51
61 RRPIKPRR 0.51
62 RRPFKPRR 0.52
63 RRFIYERR 0.52
64 RRPMKFRR 0.52
65 RRWIYERR 0.52
66 RRWFYFRR 0.52
67 RRWFYERR 0.52
68 RRFFYFRR 0.52
69 RRWMWRRR 0.53
70 RRFMWRRR 0.53
71 RRFFYERR 0.53
72 RRPMKERR 0.53
73 RRYFWPRR 0.54
74 RRYIWPRR 0.54
75 RRYMWFRR 0.55
76 RRPIWPRR 0.55
77 RRYMWERR 0.55
78 RRYIKRRR 0.56
79 RRPMWFRR 0.56
80 RRPFWPRR 0.56
81 RRYFKRRR 0.57
82 RRPMWERR 0.57
83 RRPIKRRR 0.58
84 RRPFKRRR 0.59
85 RRYIWRRR 0.6
86 RRFIKPRR 0.61
87 RRYFWRRR 0.61
88 RRWIKPRR 0.61
89 RRFFKPRR 0.62
90 RRWFKPRR 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRYMKPRR

3.1

-8.64

-5.54
2 RRPMKPRR

3.1

-8.56

-5.46
3 RRYFYPRR

3.04

-8.48

-5.44
4 RRPMYFRR

2.93

-8.32

-5.39
5 RRWMYRRR

3.06

-8.44

-5.38
6 RRPIYPRR

2.96

-8.28

-5.32
7 RRYMYERR

2.95

-8.19

-5.24
8 RRWMYPRR

2.96

-8.19

-5.23
9 RRWMYFRR

2.85

-7.94

-5.09
10 RRPMYERR

2.79

-7.75

-4.96
11 RRFMYERR

3.04

-7.95

-4.91
12 RRYFYRRR

3.05

-7.86

-4.81
13 RRFMYRRR

3.14

-7.93

-4.79
14 RRFMYPRR

3.0

-7.61

-4.61
15 RRYIYRRR

3.32

-7.92

-4.6
16 RRWIYPRR

2.96

-7.47

-4.51
17 RRYMYFRR

3.13

-7.51

-4.38
18 RRPFYRRR

3.04

-7.23

-4.19
19 RRFFYPRR

2.82

-7.01

-4.19
20 RRFMYFRR

3.4

-7.57

-4.17
21 RRYMYPRR

2.89

-6.87

-3.98
22 RRWMYERR

3.21

-7.14

-3.93
23 RRWFYPRR

2.97

-6.76

-3.79
24 RRYMYRRR

3.0

-6.77

-3.77
25 RRPFYPRR

2.98

-6.7

-3.72
26 RRPMYPRR

2.81

-6.48

-3.67
27 RRPMYRRR

2.78

-6.28

-3.5
28 RRPIYRRR

3.46

-6.83

-3.37
29 RRFIYPRR

3.11

-6.11

-3.0
30 RRYIYPRR

3.24

-5.23

-1.99

 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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