Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-29.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 10
poly-Ala
A
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 3.746 ΔGbinding -2.285
TOTAL
 1.461
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.274
Van der Waals -2.861 Backbone clash 0.037
Electrostatics 0.030 Helix dipole 0.000
Solvation Polar 3.146 Water bridges -0.113
Solvation Hyd -4.035 Disulfide 0.000
VdW clashes 0.002 Electrost. Kon 0.006
Entropy sc 0.446 Part.cov.bonds 0.000
Entropy mc

2.095

 ΔGstability

91.885
       

Predicted ligand sequences for model [FUS1_1PWT-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRKWKPNMW 0.0
2 RWRPWKPNMW 0.0
3 KWRPWKPNMW 0.04
4 RWRPWKPIMW 0.04
5 RWRKWKPIMW 0.05
6 KWRKWKPNMW 0.05
7 HWRPWKPNMW 0.06
8 HWRKWKPNMW 0.07
9 KWRKWKPIMW 0.09
10 KWRPWKPIMW 0.09
11 HWRKWKPIMW 0.11
12 RWKKWKPNMW 0.11
13 HWRPWKPIMW 0.11
14 RWKPWKPNMW 0.11
15 RWRPWKPNFW 0.12
16 RWRKWKPNFW 0.12
17 RWKKWKPIMW 0.15
18 KWKPWKPNMW 0.15
19 KWKKWKPNMW 0.15
20 RWKPWKPIMW 0.15
21 KWRPWKPNFW 0.16
22 RWRKWKWNMW 0.16
23 RWRPWKPIFW 0.16
24 RWRPWKWNMW 0.16
25 RWREWKPNMW 0.17
26 RWRKWKFNMW 0.17
27 HWKKWKPNMW 0.17
28 RWRKWKPIFW 0.17
29 HWKPWKPNMW 0.17
30 KWRKWKPNFW 0.17
31 RWRPWKFNMW 0.17
32 HWRPWKPNFW 0.18
33 RWRPWKPNKW 0.18
34 HWRKWKPNFW 0.18
35 RWRKWKPNKW 0.18
36 KWRPWKWNMW 0.2
37 RWRPWKPMMW 0.2
38 RWRPWKWIMW 0.2
39 KWRKWKWNMW 0.2
40 RWRKWKWIMW 0.2
41 KWKPWKPIMW 0.2
42 KWKKWKPIMW 0.2
43 RWREWKPIMW 0.21
44 KWRKWKPIFW 0.21
45 HWKPWKPIMW 0.21
46 KWRPWKFNMW 0.21
47 RWRKWKPMMW 0.21
48 KWRPWKPIFW 0.21
49 KWREWKPNMW 0.21
50 HWRPWKWNMW 0.22
51 HWKKWKPIMW 0.22
52 KWRPWKPNKW 0.22
53 KWRKWKFNMW 0.22
54 RWRPWKPIKW 0.22
55 HWRKWKWNMW 0.22
56 RWRKWKFIMW 0.22
57 RWRPWKFIMW 0.22
58 RWKKWKPNFW 0.23
59 HWRPWKPIFW 0.23
60 RWRKWKPIKW 0.23
61 RWKPWKPNFW 0.23
62 KWRKWKPNKW 0.23
63 HWRPWKFNMW 0.23
64 HWRKWKPIFW 0.23
65 HWREWKPNMW 0.23
66 HWRPWKPNKW 0.24
67 KWRPWKWIMW 0.24
68 HWRKWKFNMW 0.24
69 KWREWKPIMW 0.25
70 HWRKWKPNKW 0.25
71 KWRKWKPMMW 0.25
72 KWRPWKPMMW 0.25
73 KWRKWKWIMW 0.25
74 HWRPWKWIMW 0.26
75 KWRKWKFIMW 0.26
76 KWRPWKFIMW 0.26
77 RWKPWKWNMW 0.26
78 RWKPWKPIFW 0.27
79 RWKEWKPNMW 0.27
80 HWRKWKPMMW 0.27
81 KWRKWKPIKW 0.27
82 HWREWKPIMW 0.27
83 RWKKWKPIFW 0.27
84 KWRPWKPIKW 0.27
85 RWKKWKWNMW 0.27
86 KWKKWKPNFW 0.27
87 KWKPWKPNFW 0.27
88 HWRPWKPMMW 0.27
89 HWRKWKWIMW 0.27
90 HWRPWKFIMW 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWRPWKPIMW

3.58

-10.91

-7.33
2 RWRKWKPIMW

3.84

-11.06

-7.22
3 HWRKWKPIMW

4.72

-11.09

-6.37
4 KWRKWKPNMW

3.66

-10.0

-6.34
5 KWRKWKPIMW

4.54

-10.87

-6.33
6 KWRPWKPIMW

4.58

-10.81

-6.23
7 RWRKWKFNMW

4.16

-10.24

-6.08
8 RWKKWKPIMW

4.45

-10.48

-6.03
9 RWREWKPNMW

5.25

-10.92

-5.67
10 RWRPWKPNMW

4.0

-9.67

-5.67
11 KWRPWKPNMW

5.2

-10.84

-5.64
12 KWKPWKPNMW

4.41

-10.03

-5.62
13 RWKPWKPIMW

4.29

-9.77

-5.48
14 HWRKWKPNMW

4.37

-9.84

-5.47
15 HWKKWKPNMW

4.53

-9.93

-5.4
16 RWKKWKPNMW

5.25

-10.62

-5.37
17 RWRKWKPIFW

4.95

-10.31

-5.36
18 HWRPWKPNMW

4.64

-10.0

-5.36
19 RWRPWKPNFW

4.78

-10.05

-5.27
20 RWRKWKWNMW

4.71

-9.95

-5.24
21 KWKKWKPNMW

4.47

-9.69

-5.22
22 HWKPWKPNMW

4.34

-9.5

-5.16
23 KWRKWKPNFW

5.69

-10.71

-5.02
24 HWRPWKPIMW

4.21

-9.19

-4.98
25 RWKPWKPNMW

5.33

-10.2

-4.87
26 RWRPWKPIFW

5.12

-9.85

-4.73
27 KWRPWKPNFW

5.76

-10.36

-4.6
28 RWRKWKPNFW

6.09

-10.68

-4.59
29 RWRPWKWNMW

4.7

-9.25

-4.55
30 RWRKWKPNMW

5.86

-9.33

-3.47

 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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