Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-20.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 5.000 ΔGbinding -0.742
TOTAL
 4.258
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.035
Van der Waals -4.223 Backbone clash 0.094
Electrostatics 0.477 Helix dipole 0.000
Solvation Polar 4.627 Water bridges -0.110
Solvation Hyd -5.999 Disulfide 0.000
VdW clashes 1.105 Electrost. Kon 0.514
Entropy sc 0.466 Part.cov.bonds 0.000
Entropy mc

3.641

 ΔGstability

87.049
       

Predicted ligand sequences for model [SLA1-D2_1JO8-20.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-D2_1JO8-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRFKKGRHW 0.0
2 YRKKKGRHW 0.0
3 YRYKKGRHW 0.01
4 YRFRKGRHW 0.03
5 YRYRKGRHW 0.04
6 YRKRKGRHW 0.04
7 RRFKKGRHW 0.06
8 RRKKKGRHW 0.06
9 RRYKKGRHW 0.07
10 RRKRKGRHW 0.09
11 YRFMKGRHW 0.09
12 RRFRKGRHW 0.09
13 RRYRKGRHW 0.1
14 YRKMKGRHW 0.1
15 YRYMKGRHW 0.1
16 YRFKKGWHW 0.11
17 YRKKKGWHW 0.11
18 YRYKKGWHW 0.12
19 YRFRKGWHW 0.15
20 YRYRKGWHW 0.15
21 RRFMKGRHW 0.15
22 RRKMKGRHW 0.15
23 YRKRKGWHW 0.15
24 RRYMKGRHW 0.16
25 RRFKKGWHW 0.17
26 YRKKKGMHW 0.17
27 YRFKKGMHW 0.17
28 RRKKKGWHW 0.17
29 YRYKKGMHW 0.18
30 RRYKKGWHW 0.18
31 RRFRKGWHW 0.2
32 YRKRKGMHW 0.21
33 YRFMKGWHW 0.21
34 YRFRKGMHW 0.21
35 RRYRKGWHW 0.21
36 RRKRKGWHW 0.21
37 YRKMKGWHW 0.21
38 YRYMKGWHW 0.22
39 YRYRKGMHW 0.22
40 RRKKKGMHW 0.23
41 RRFKKGMHW 0.23
42 YPKKKGRHW 0.24
43 YPFKKGRHW 0.24
44 RRYKKGMHW 0.24
45 YRKKKGRKW 0.24
46 YRFKKGRKW 0.24
47 YPYKKGRHW 0.25
48 YRYKKGRKW 0.25
49 RRFMKGWHW 0.26
50 RRFRKGMHW 0.26
51 YRKRKGRKW 0.27
52 YRFMKGMHW 0.27
53 RRKMKGWHW 0.27
54 YRFRKGRKW 0.27
55 YPFRKGRHW 0.27
56 YPKRKGRHW 0.27
57 RRKRKGMHW 0.27
58 RRYMKGWHW 0.27
59 RRYRKGMHW 0.27
60 YRKMKGMHW 0.27
61 YPYRKGRHW 0.28
62 YRYRKGRKW 0.28
63 YRYMKGMHW 0.28
64 FRKKKGRHW 0.29
65 FRFKKGRHW 0.29
66 RPKKKGRHW 0.3
67 RPFKKGRHW 0.3
68 RRFKKGRKW 0.3
69 RRKKKGRKW 0.3
70 FRYKKGRHW 0.3
71 RPYKKGRHW 0.31
72 RRYKKGRKW 0.31
73 RRFMKGMHW 0.32
74 RRYMKGMHW 0.33
75 RRFRKGRKW 0.33
76 YPFMKGRHW 0.33
77 YPKMKGRHW 0.33
78 YRKMKGRKW 0.33
79 YRFMKGRKW 0.33
80 RPFRKGRHW 0.33
81 RRKRKGRKW 0.33
82 RPKRKGRHW 0.33
83 FRFRKGRHW 0.33
84 FRKRKGRHW 0.33
85 RRKMKGMHW 0.33
86 FRYRKGRHW 0.34
87 YRYMKGRKW 0.34
88 RRYRKGRKW 0.34
89 YRKKFGRHW 0.34
90 RPYRKGRHW 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFKKGRHW

4.37

-8.71

-4.34
2 YRYMKGRHW

3.6

-7.75

-4.15
3 RRFMKGRHW

3.82

-7.76

-3.94
4 RRYMKGRHW

4.52

-8.26

-3.74
5 RRKMKGRHW

4.12

-7.74

-3.62
6 YRFMKGRHW

3.29

-6.9

-3.61
7 YRFRKGRHW

3.75

-7.3

-3.55
8 YRKKKGWHW

4.07

-7.61

-3.54
9 YRFKKGMHW

3.49

-6.98

-3.49
10 YRKMKGRHW

3.42

-6.85

-3.43
11 YRFKKGRHW

4.01

-7.35

-3.34
12 YRYKKGWHW

4.14

-7.05

-2.91
13 YRFKKGWHW

3.97

-6.88

-2.91
14 YRYKKGMHW

4.47

-7.33

-2.86
15 YRKKKGMHW

3.94

-6.8

-2.86
16 RRYRKGRHW

4.11

-6.57

-2.46
17 YRFRKGWHW

4.1

-6.43

-2.33
18 YRYKKGRHW

3.93

-6.26

-2.33
19 YRKKKGRHW

4.39

-6.69

-2.3
20 YRKRKGWHW

4.18

-6.47

-2.29
21 RRFRKGRHW

4.31

-6.44

-2.13
22 RRFKKGWHW

4.7

-6.81

-2.11
23 RRYKKGRHW

4.24

-6.24

-2.0
24 RRKKKGWHW

4.69

-6.56

-1.87
25 RRYKKGWHW

4.08

-5.81

-1.73
26 YRYRKGRHW

3.86

-5.57

-1.71
27 YRKRKGRHW

4.37

-6.08

-1.71
28 YRYRKGWHW

4.06

-5.73

-1.67
29 RRKRKGRHW

4.04

-5.62

-1.58
30 RRKKKGRHW

3.86

-5.34

-1.48

 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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