Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-2.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 11.389 ΔGbinding 8.273
TOTAL
 19.662
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.068
Van der Waals -5.972 Backbone clash 0.162
Electrostatics 0.120 Helix dipole 0.000
Solvation Polar 7.402 Water bridges -0.222
Solvation Hyd -8.714 Disulfide 0.000
VdW clashes 12.080 Electrost. Kon 0.053
Entropy sc 1.772 Part.cov.bonds 0.000
Entropy mc

3.237

 ΔGstability

51.554
       

Predicted ligand sequences for model [SLA1-D3_1KA9-2.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-D3_1KA9-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 GSRRRHPHPW 0.0
2 GSRRRHPFPW 0.04
3 GSRRRHPHPR 0.18
4 GSRRRHPDPW 0.2
5 GSRRRHRHPW 0.22
6 GSRRRHPFPR 0.22
7 GSKRRHPHPW 0.25
8 GSRRRHRFPW 0.26
9 GSKRRHPFPW 0.29
10 GSRRRHPHMW 0.3
11 GSRRRHPFMW 0.34
12 GSRRRHPHPH 0.36
13 GSRRRHPDPR 0.37
14 GSPRRHPHPW 0.39
15 GSRRRHPFPH 0.4
16 GSRRRHRHPR 0.4
17 GSRRRHPHFW 0.41
18 GSRRRHRDPW 0.41
19 GSKRRHPHPR 0.43
20 GSPRRHPFPW 0.43
21 GSRRRHRFPR 0.43
22 GSRRRHIHPW 0.44
23 GSKRRHPDPW 0.45
24 GSRRRHPFFW 0.45
25 GSRRRRPHPW 0.46
26 GSKRRHPFPR 0.47
27 GSKRRHRHPW 0.47
28 GSRRRHIFPW 0.48
29 GSRRRHPHMR 0.48
30 GSRRRRPFPW 0.5
31 GSRRRHPDMW 0.5
32 GSKRRHRFPW 0.51
33 GSRRRHPFMR 0.52
34 GSRRRHRHMW 0.52
35 GSKRRHPHMW 0.55
36 GSRRRHRFMW 0.56
37 GSRRRHPDPH 0.56
38 GSPRRHPHPR 0.57
39 GSRRRHRHPH 0.58
40 GSKRRHPFMW 0.59
41 GSRRRHPHFR 0.59
42 GSPRRHPDPW 0.59
43 GSRRRHRDPR 0.59
44 GSKRRHPHPH 0.61
45 GSPRRHPFPR 0.61
46 GSPRRHRHPW 0.61
47 GSRRRHPDFW 0.61
48 GSRRRHIHPR 0.62
49 GSRRRHRFPH 0.62
50 GSKRRHPDPR 0.63
51 GSRRRHRHFW 0.63
52 GSRRRHPFFR 0.63
53 GSRRRHIDPW 0.64
54 GSRRRRPHPR 0.64
55 GSKRRHPFPH 0.65
56 GSKRRHRHPR 0.65
57 GSPRRHRFPW 0.65
58 GSRRRHIFPR 0.66
59 GSKRRHPHFW 0.66
60 GSRRRRPDPW 0.66
61 GSRRRHPHMH 0.66
62 GSRRRHRFFW 0.67
63 GSKRRHRDPW 0.67
64 GSRRRRPFPR 0.68
65 GSRRRRRHPW 0.68
66 GSRRRHPDMR 0.68
67 GSKRRHRFPR 0.69
68 GSPRRHPHMW 0.69
69 GSRRRHRHMR 0.7
70 GSKRRHIHPW 0.7
71 GSRRRHPFMH 0.7
72 GSKRRHPFFW 0.7
73 GSKRRRPHPW 0.71
74 GSRRRHRDMW 0.72
75 GSRRRRRFPW 0.72
76 GSRRRHRFMR 0.73
77 GSKRRHPHMR 0.73
78 GSPRRHPFMW 0.73
79 GSKRRHIFPW 0.73
80 GSRRRHIHMW 0.75
81 GSKRRHPDMW 0.75
82 GSPRRHPHPH 0.75
83 GSKRRRPFPW 0.75
84 GSPRRHPDPR 0.76
85 GSRRRRPHMW 0.76
86 GSKRRHPFMR 0.77
87 GSKRRHRHMW 0.77
88 GSRRRHPHFH 0.77
89 GSRRRHRDPH 0.78
90 GSRRRHIFMW 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GSRRRHPFMW

5.17

-6.68

-1.51
2 GSRRRHPDPW

6.5

-8.0

-1.5
3 GSRRRHPFPR

6.7

-7.58

-0.88
4 GSKRRHPDPW

6.83

-7.71

-0.88
5 GSRRRHPFPH

6.39

-7.16

-0.77
6 GSRRRHPHPR

7.4

-7.99

-0.59
7 GSRRRHPDPR

6.53

-7.09

-0.56
8 GSKRRHPFPR

7.27

-7.79

-0.52
9 GSRRRHRFPR

6.41

-6.84

-0.43
10 GSRRRHPHMR

7.09

-7.5

-0.41
11 GSKRRHPFPW

7.46

-7.85

-0.39
12 GSRRRHIFPW

5.7

-6.06

-0.36
13 GSRRRHPHFW

7.18

-7.26

-0.08
14 GSRRRHPFPW

7.22

-6.98

0.24
15 GSRRRHPHPH

8.12

-7.75

0.37
16 GSRRRHPHMW

7.42

-7.04

0.38
17 GSPRRHPFPW

6.05

-5.44

0.61
18 GSRRRHRFPW

7.53

-6.91

0.62
19 GSKRRHPHPW

7.36

-6.64

0.72
20 GSRRRHPFFW

7.13

-6.34

0.79
21 GSRRRHRHPR

6.64

-5.78

0.86
22 GSPRRHPHPW

6.32

-5.35

0.97
23 GSRRRHPHPW

7.13

-6.11

1.02
24 GSRRRHRDPW

7.29

-6.09

1.2
25 GSRRRHIHPW

6.68

-5.42

1.26
26 GSRRRRPHPW

8.16

-6.76

1.4
27 GSKRRHPHPR

7.64

-6.16

1.48
28 GSKRRHRHPW

6.89

-5.33

1.56
29 GSRRRHRHPW

7.24

-5.25

1.99
30 GSRRRRPFPW

8.15

-5.3

2.85

 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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