Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-26.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 6.295 ΔGbinding 0.645
TOTAL
 6.940
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.197
Van der Waals -1.803 Backbone clash 0.000
Electrostatics 0.339 Helix dipole 0.000
Solvation Polar 1.843 Water bridges 0.000
Solvation Hyd -2.611 Disulfide 0.000
VdW clashes 0.079 Electrost. Kon 0.452
Entropy sc 0.078 Part.cov.bonds 0.000
Entropy mc

2.071

 ΔGstability

118.489
       

Predicted ligand sequences for model [FUS1_1SHF-26.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-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRRRRWMPR 0.0
2 YRRRRWMRR 0.04
3 FRRRRWMPR 0.07
4 YKRRRWMPR 0.09
5 FRRRRWMRR 0.11
6 YKRRRWMRR 0.12
7 FKRRRWMPR 0.16
8 YDRRRWMPR 0.17
9 YRRRKWMPR 0.18
10 FKRRRWMRR 0.2
11 YDRRRWMRR 0.2
12 YRRRKWMRR 0.21
13 FDRRRWMPR 0.24
14 FRRRKWMPR 0.25
15 YKRRKWMPR 0.26
16 FDRRRWMRR 0.28
17 FRRRKWMRR 0.29
18 YKRRKWMRR 0.3
19 YRRRHWMPR 0.31
20 FKRRKWMPR 0.34
21 YDRRKWMPR 0.34
22 YRRRHWMRR 0.34
23 FKRRKWMRR 0.37
24 YDRRKWMRR 0.38
25 FRRRHWMPR 0.38
26 YRRRRWMSR 0.39
27 YKRRHWMPR 0.39
28 FRRRHWMRR 0.42
29 FDRRKWMPR 0.42
30 YKRRHWMRR 0.43
31 FDRRKWMRR 0.45
32 YDRRHWMPR 0.47
33 YRRRRRMPR 0.47
34 FRRRRWMSR 0.47
35 FKRRHWMPR 0.47
36 YRWRRWMPR 0.48
37 YKRRRWMSR 0.48
38 YRRRRRMRR 0.5
39 FKRRHWMRR 0.5
40 YRWRRWMRR 0.51
41 YDRRHWMRR 0.51
42 FRRRRRMPR 0.54
43 FDRRHWMPR 0.55
44 FRWRRWMPR 0.55
45 FKRRRWMSR 0.55
46 YKRRRRMPR 0.55
47 YDRRRWMSR 0.56
48 YKWRRWMPR 0.56
49 YRRRKWMSR 0.57
50 FDRRHWMRR 0.58
51 FRRRRRMRR 0.58
52 FRWRRWMRR 0.59
53 YKRRRRMRR 0.59
54 YKWRRWMRR 0.6
55 FKRRRRMPR 0.63
56 YDRRRRMPR 0.63
57 FDRRRWMSR 0.63
58 FKWRRWMPR 0.64
59 FRRRKWMSR 0.64
60 YRRRKRMPR 0.64
61 YDWRRWMPR 0.65
62 YKRRKWMSR 0.65
63 YRWRKWMPR 0.66
64 FKRRRRMRR 0.67
65 YDRRRRMRR 0.67
66 YRRRKRMRR 0.68
67 FKWRRWMRR 0.68
68 YDWRRWMRR 0.68
69 YRWRKWMRR 0.69
70 YRRRHWMSR 0.7
71 FDRRRRMPR 0.71
72 FRRRKRMPR 0.72
73 FDWRRWMPR 0.72
74 YDRRKWMSR 0.73
75 FKRRKWMSR 0.73
76 FRWRKWMPR 0.73
77 YKRRKRMPR 0.73
78 YKWRKWMPR 0.74
79 FDRRRRMRR 0.75
80 FDWRRWMRR 0.76
81 FRRRKRMRR 0.76
82 FRRRHWMSR 0.77
83 YKRRKRMRR 0.77
84 YRRRHRMPR 0.77
85 FRWRKWMRR 0.77
86 YKWRKWMRR 0.78
87 YKRRHWMSR 0.78
88 YRWRHWMPR 0.78
89 FKRRKRMPR 0.81
90 YDRRKRMPR 0.81
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YDRRRWMRR

3.63

-11.33

-7.7
2 YKRRRWMRR

4.15

-11.59

-7.44
3 YDRRRWMPR

4.32

-11.58

-7.26
4 FDRRRWMPR

3.85

-10.46

-6.61
5 FDRRKWMPR

4.62

-11.11

-6.49
6 YKRRRWMPR

4.4

-10.75

-6.35
7 FRRRRWMPR

4.38

-10.64

-6.26
8 YRRRHWMRR

4.58

-10.68

-6.1
9 YRRRKWMRR

5.23

-11.3

-6.07
10 YRRRRWMRR

3.01

-9.05

-6.04
11 YDRRKWMPR

4.43

-10.45

-6.02
12 YRRRRWMSR

4.07

-10.05

-5.98
13 YRRRKWMPR

5.15

-10.93

-5.78
14 FKRRKWMPR

5.08

-10.84

-5.76
15 FKRRKWMRR

2.56

-8.25

-5.69
16 YRRRHWMPR

4.57

-10.15

-5.58
17 FRRRHWMRR

2.37

-7.91

-5.54
18 YRRRRWMPR

2.58

-8.06

-5.48
19 FRRRRWMRR

4.21

-9.62

-5.41
20 FRRRKWMRR

5.92

-11.16

-5.24
21 FRRRHWMPR

2.62

-7.79

-5.17
22 FRRRKWMPR

5.09

-10.06

-4.97
23 YKRRHWMPR

5.65

-10.49

-4.84
24 FKRRRWMRR

3.12

-7.89

-4.77
25 FKRRRWMPR

4.38

-9.08

-4.7
26 YKRRKWMRR

5.1

-9.76

-4.66
27 YDRRKWMRR

5.91

-10.51

-4.6
28 FDRRRWMRR

5.91

-10.51

-4.6
29 YKRRHWMRR

5.32

-9.32

-4.0
30 YKRRKWMPR

4.66

-8.22

-3.56

 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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