Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_1ZUU-16.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
G
 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 12.245 ΔGbinding 11.039
TOTAL
 23.284
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.933
Van der Waals -4.790 Backbone clash 0.244
Electrostatics 1.279 Helix dipole 0.000
Solvation Polar 7.271 Water bridges -0.051
Solvation Hyd -6.316 Disulfide 0.000
VdW clashes 7.022 Electrost. Kon 0.878
Entropy sc 0.791 Part.cov.bonds 0.000
Entropy mc

7.072

 ΔGstability

94.363
       

Predicted ligand sequences for model [SLA1-D1_1ZUU-16.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).
 
  SLA1-D1_1ZUU-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPHIRHRRG 0.0
2 FPHRRHRRG 0.0
3 FPHIRHMRG 0.07
4 FPHRRHMRG 0.08
5 FPFIRHRRG 0.23
6 FPFRRHRRG 0.24
7 FPWRRHRRG 0.28
8 FPWIRHRRG 0.28
9 FPYIRHRRG 0.29
10 FPFIRHMRG 0.3
11 FPYRRHRRG 0.3
12 FPFRRHMRG 0.31
13 FPHIRHWRG 0.33
14 FPHRRHWRG 0.34
15 FPWIRHMRG 0.35
16 FPWRRHMRG 0.36
17 FPHIRHRHG 0.37
18 FPYIRHMRG 0.37
19 FPYRRHMRG 0.37
20 FPHRRHRHG 0.38
21 FPHIRHMHG 0.45
22 FPHRRHMHG 0.45
23 FPHIRNRRG 0.46
24 FPHRRNRRG 0.47
25 FPHRRNMRG 0.54
26 FPHIRNMRG 0.54
27 FPFIRHWRG 0.57
28 FPFRRHWRG 0.57
29 FPFIRHRHG 0.6
30 FPWRRHWRG 0.61
31 FPFRRHRHG 0.61
32 FPWIRHWRG 0.61
33 FPYIRHWRG 0.63
34 FPYRRHWRG 0.63
35 FPWIRHRHG 0.65
36 FPWRRHRHG 0.66
37 FPYIRHRHG 0.67
38 FPYRRHRHG 0.67
39 FPFRRHMHG 0.68
40 FPFIRHMHG 0.68
41 FPFIRNRRG 0.69
42 FPFRRNRRG 0.7
43 FPHRRHWHG 0.71
44 FPHIRHWHG 0.71
45 FPWRRHMHG 0.73
46 FPWIRHMHG 0.73
47 FPYRRHMHG 0.74
48 FPWRRNRRG 0.74
49 FPWIRNRRG 0.74
50 FPYIRHMHG 0.74
51 FPYIRNRRG 0.75
52 FPYRRNRRG 0.76
53 FPFIRNMRG 0.77
54 FPFRRNMRG 0.77
55 FPHIRNWRG 0.8
56 FPHRRNWRG 0.8
57 FPWIRNMRG 0.81
58 FPWRRNMRG 0.82
59 FPHIRNRHG 0.83
60 FPYIRNMRG 0.83
61 FPYRRNMRG 0.83
62 FPHRRNRHG 0.84
63 FPHIRNMHG 0.91
64 FPHRRNMHG 0.91
65 FPFIRHWHG 0.94
66 FPFRRHWHG 0.94
67 FPWIRHWHG 0.98
68 FPWRRHWHG 0.99
69 FPYRRHWHG 1.0
70 FPYIRHWHG 1.0
71 FPFIRNWRG 1.03
72 FPFRRNWRG 1.03
73 FPFIRNRHG 1.07
74 FPWIRNWRG 1.07
75 FPFRRNRHG 1.07
76 FPWRRNWRG 1.08
77 FPYRRNWRG 1.09
78 FPYIRNWRG 1.09
79 FPWIRNRHG 1.11
80 FPWRRNRHG 1.12
81 FPYIRNRHG 1.13
82 FPYRRNRHG 1.13
83 FPFRRNMHG 1.14
84 FPFIRNMHG 1.14
85 FPHRRNWHG 1.17
86 FPHIRNWHG 1.17
87 FPWIRNMHG 1.19
88 FPWRRNMHG 1.19
89 FPYIRNMHG 1.2
90 FPYRRNMHG 1.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPHRRHRRG

10.17

-4.95

5.22
2 FPHIRHMHG

10.67

-5.17

5.5
3 FPWIRHRRG

10.61

-4.82

5.79
4 FPHRRHRHG

10.41

-4.21

6.2
5 FPHRRNRRG

11.03

-4.74

6.29
6 FPYRRHRRG

11.65

-4.94

6.71
7 FPFIRHRRG

10.99

-3.93

7.06
8 FPHIRHRRG

12.12

-4.98

7.14
9 FPYIRHRRG

11.24

-4.09

7.15
10 FPFIRHRHG

10.66

-3.46

7.2
11 FPFRRHRRG

11.62

-4.32

7.3
12 FPHIRNRRG

11.74

-4.28

7.46
13 FPHRRHMHG

10.98

-3.51

7.47
14 FPWIRHMRG

11.24

-3.76

7.48
15 FPWRRHRRG

11.79

-4.0

7.79
16 FPFRRHWRG

11.05

-2.98

8.07
17 FPHRRHWRG

10.29

-2.1

8.19
18 FPFIRHMRG

10.62

-2.42

8.2
19 FPHIRHMRG

10.79

-2.58

8.21
20 FPYIRHMRG

10.84

-2.45

8.39
21 FPHIRHRHG

12.51

-4.1

8.41
22 FPFIRHWRG

11.48

-2.85

8.63
23 FPHIRHWRG

12.08

-3.43

8.65
24 FPWRRHWRG

11.1

-2.26

8.84
25 FPYRRHMRG

10.99

-2.09

8.9
26 FPHIRNMRG

11.79

-2.88

8.91
27 FPWRRHMRG

11.53

-2.36

9.17
28 FPHRRNMRG

11.82

-2.6

9.22
29 FPHRRHMRG

12.42

-3.17

9.25
30 FPFRRHMRG

11.63

-2.17

9.46

 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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