Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-25.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 5.960 ΔGbinding 1.313
TOTAL
 7.273
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.375
Van der Waals -3.324 Backbone clash 0.021
Electrostatics 0.150 Helix dipole 0.000
Solvation Polar 5.825 Water bridges -0.036
Solvation Hyd -4.248 Disulfide 0.000
VdW clashes 1.188 Electrost. Kon 0.122
Entropy sc 0.892 Part.cov.bonds 0.000
Entropy mc

3.419

 ΔGstability

80.037
       

Predicted ligand sequences for model [FUS1_1FYN-25.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-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWRFVPRY 0.0
2 RRWRFPPRY 0.0
3 RRWRFHPRY 0.08
4 RRWRFVRRY 0.09
5 RRWRFPRRY 0.09
6 RRWRFHRRY 0.17
7 RRWRFPERY 0.17
8 RRWRFVERY 0.18
9 RRWPFPPRY 0.2
10 RRWPFVPRY 0.21
11 RRWRFHERY 0.26
12 RRWRMPPRY 0.27
13 RRWRMVPRY 0.28
14 RRWPFHPRY 0.28
15 RRWPFPRRY 0.29
16 RRWPFVRRY 0.3
17 RRPRFPPRY 0.32
18 RRWRLPPRY 0.32
19 RRWRLVPRY 0.33
20 RRPRFVPRY 0.33
21 RRWRMHPRY 0.35
22 RRWRMPRRY 0.36
23 RRWRMVRRY 0.36
24 RRWPFHRRY 0.37
25 RRWPFVERY 0.38
26 RRWPFPERY 0.38
27 RRPRFHPRY 0.4
28 RRWRLHPRY 0.4
29 RRWWFPPRY 0.41
30 RRWRLPRRY 0.41
31 RRWWFVPRY 0.41
32 RRPRFPRRY 0.41
33 RRPRFVRRY 0.41
34 RRWRLVRRY 0.42
35 RRWRMHRRY 0.44
36 RRRRFPPRY 0.45
37 RRWRMVERY 0.45
38 RRWRMPERY 0.45
39 RRWPFHERY 0.46
40 HRWRFPPRY 0.46
41 KRWRFPPRY 0.46
42 HRWRFVPRY 0.46
43 KRWRFVPRY 0.46
44 RRRRFVPRY 0.46
45 RRWPMPPRY 0.47
46 RRWPMVPRY 0.48
47 RRWWFPRRY 0.49
48 RRWRLHRRY 0.49
49 RRWWFHPRY 0.49
50 RRPRFHRRY 0.49
51 RRPRFPERY 0.5
52 RRWWFVRRY 0.5
53 RRWRLVERY 0.5
54 RRWRLPERY 0.5
55 RRPRFVERY 0.5
56 RRWRMHERY 0.53
57 RRWPLPPRY 0.53
58 RRRRFHPRY 0.53
59 RRPPFVPRY 0.53
60 RRPPFPPRY 0.53
61 RRWPLVPRY 0.53
62 RRRRFVRRY 0.54
63 HRWRFHPRY 0.54
64 KRWRFHPRY 0.54
65 RRRRFPRRY 0.54
66 KRWRFVRRY 0.55
67 KRWRFPRRY 0.55
68 RRWPMHPRY 0.55
69 HRWRFVRRY 0.55
70 HRWRFPRRY 0.55
71 RRWPMPRRY 0.56
72 RRWWFHRRY 0.57
73 RRWPMVRRY 0.57
74 RRPRFHERY 0.58
75 RRWRLHERY 0.58
76 RRWWFPERY 0.58
77 RRPRMPPRY 0.59
78 RRWWFVERY 0.59
79 RRPRMVPRY 0.6
80 RRPPFHPRY 0.6
81 RRWPLHPRY 0.61
82 RRPPFPRRY 0.61
83 RRWPLPRRY 0.61
84 RRRRFHRRY 0.62
85 RRWPLVRRY 0.62
86 RRPPFVRRY 0.62
87 RRRRFPERY 0.63
88 HRWRFHRRY 0.63
89 HRWRFPERY 0.63
90 KRWRFHRRY 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRWRFPPRY

5.07

-11.65

-6.58
2 RRWRFVRRY

5.07

-11.21

-6.14
3 RRWRFVPRY

4.68

-10.52

-5.84
4 RRWPFPRRY

4.19

-9.96

-5.77
5 RRPRFPPRY

3.88

-9.44

-5.56
6 RRWPFHRRY

5.23

-10.52

-5.29
7 RRWRFHPRY

6.72

-11.7

-4.98
8 RRPRFHPRY

4.34

-9.01

-4.67
9 RRPRFVPRY

6.17

-10.76

-4.59
10 RRWRFPERY

4.24

-8.58

-4.34
11 RRWPFPERY

4.3

-8.53

-4.23
12 RRWRFHRRY

4.96

-9.19

-4.23
13 RRWRMPPRY

4.4

-8.43

-4.03
14 RRWRFPRRY

4.82

-8.78

-3.96
15 RRWPFHPRY

4.61

-8.48

-3.87
16 RRWRLPPRY

4.25

-8.01

-3.76
17 RRWRLPRRY

4.98

-8.68

-3.7
18 RRWWFPPRY

4.05

-7.29

-3.24
19 RRWRMPRRY

4.64

-7.66

-3.02
20 RRWRLHPRY

4.85

-7.84

-2.99
21 RRWRMVPRY

4.74

-7.71

-2.97
22 RRWRMHPRY

7.03

-9.82

-2.79
23 RRWPFVRRY

4.97

-7.63

-2.66
24 RRWRMVRRY

4.76

-7.21

-2.45
25 RRWPFPPRY

4.0

-6.44

-2.44
26 RRWPFVPRY

4.82

-7.26

-2.44
27 RRWRFHERY

4.79

-7.11

-2.32
28 RRWRLVPRY

4.67

-6.93

-2.26
29 RRWRFVERY

4.66

-6.91

-2.25
30 RRWPFVERY

4.66

-6.67

-2.01

 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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