Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-19.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 6.673 ΔGbinding 0.021
TOTAL
 6.694
Backbone Hb -0.825 Cis_bond 0.000
Sidechain Hb -0.825 Torsional clash 0.316
Van der Waals -6.069 Backbone clash 0.376
Electrostatics -0.601 Helix dipole 0.000
Solvation Polar 8.394 Water bridges 0.052
Solvation Hyd -8.275 Disulfide 0.000
VdW clashes 1.778 Electrost. Kon -0.518
Entropy sc 2.106 Part.cov.bonds 0.000
Entropy mc

4.491

 ΔGstability

44.599
       

Predicted ligand sequences for model [SLA1-D3_1CSK-19.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_1CSK-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKKNRRHY 0.0
2 RRKKRRRHY 0.01
3 RRKKNRRHI 0.09
4 RRKKNRRKY 0.09
5 RRKKRRRHI 0.1
6 RRKKRRRKY 0.1
7 RRKKNRRKI 0.18
8 RRKKRRRKI 0.19
9 RRKKNRRRY 0.2
10 RRKKRRRRY 0.21
11 RRKKYRRHY 0.22
12 RRHKNRRHY 0.26
13 RRHKRRRHY 0.27
14 RRKKNRRRI 0.29
15 RRKKRRRRI 0.3
16 RRKKYRRKY 0.31
17 RRKKYRRHI 0.31
18 RRRKNRRHY 0.35
19 RRHKNRRHI 0.35
20 RRHKNRRKY 0.35
21 RRRKRRRHY 0.36
22 RRHKRRRHI 0.36
23 RRHKRRRKY 0.36
24 RRIKNRRHY 0.37
25 RRKKGRRHY 0.38
26 RRIKRRRHY 0.38
27 RRKKYRRKI 0.4
28 RRKKYRRRY 0.41
29 RRRKNRRKY 0.44
30 RRRKNRRHI 0.44
31 RRKKNRRIY 0.44
32 RRHKNRRKI 0.44
33 RRRKRRRHI 0.45
34 RRKKRRRIY 0.45
35 RRHKRRRKI 0.45
36 RRRKRRRKY 0.45
37 RRIKNRRHI 0.46
38 RRIKNRRKY 0.46
39 RRHKNRRRY 0.46
40 RRIKRRRKY 0.47
41 RRKKGRRHI 0.47
42 RRIKRRRHI 0.47
43 RRKKGRRKY 0.47
44 RRHKRRRRY 0.47
45 RRHKYRRHY 0.48
46 RRKKYRRRI 0.51
47 RRRKNRRKI 0.53
48 RRRKNRRRY 0.54
49 RRKKNRRII 0.54
50 RRRKRRRKI 0.54
51 RRKKRRRII 0.55
52 RRIKNRRKI 0.55
53 RRHKNRRRI 0.55
54 RRRKRRRRY 0.56
55 RRIKRRRKI 0.56
56 RRIKNRRRY 0.56
57 RRKKGRRKI 0.56
58 RRHKRRRRI 0.56
59 RRHKYRRKY 0.56
60 RRIKRRRRY 0.57
61 RRHKYRRHI 0.57
62 RRRKYRRHY 0.57
63 RRKKGRRRY 0.58
64 RRIKYRRHY 0.59
65 RRHKGRRHY 0.64
66 RRRKNRRRI 0.64
67 RRRKRRRRI 0.65
68 RRRKYRRKY 0.65
69 RRIKNRRRI 0.66
70 RRRKYRRHI 0.66
71 RRKKYRRIY 0.66
72 RRHKYRRKI 0.66
73 RRIKYRRKY 0.67
74 RRKKGRRRI 0.67
75 RRHKYRRRY 0.67
76 RRIKRRRRI 0.67
77 RRIKYRRHI 0.68
78 RRHKNRRIY 0.7
79 RRHKRRRIY 0.71
80 RRHKGRRHI 0.73
81 RRHKGRRKY 0.73
82 RRRKGRRHY 0.73
83 RRIKGRRHY 0.75
84 RRRKYRRKI 0.75
85 RRRKYRRRY 0.76
86 RRKKYRRII 0.76
87 RRIKYRRKI 0.77
88 RRHKYRRRI 0.77
89 RRIKYRRRY 0.78
90 RRRKNRRIY 0.79
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRIKRRRHY

6.54

-12.02

-5.48
2 RRHKRRRKY

6.72

-11.78

-5.06
3 RRKKRRRRY

7.17

-11.89

-4.72
4 RRRKRRRHY

6.83

-11.46

-4.63
5 RRKKRRRHY

6.68

-11.09

-4.41
6 RRKKRRRKY

6.89

-10.9

-4.01
7 RRHKNRRKY

6.89

-10.54

-3.65
8 RRRKNRRKY

6.59

-10.18

-3.59
9 RRKKYRRKY

6.62

-10.03

-3.41
10 RRKKGRRHY

5.9

-9.12

-3.22
11 RRHKNRRHY

7.27

-10.47

-3.2
12 RRKKNRRRY

6.77

-9.87

-3.1
13 RRIKNRRHY

6.5

-8.84

-2.34
14 RRKKNRRKY

7.14

-8.61

-1.47
15 RRKKNRRHY

7.14

-8.6

-1.46
16 RRHKRRRHY

6.76

-7.77

-1.01
17 RRRKNRRHY

7.5

-8.21

-0.71
18 RRKKYRRHY

7.14

-7.27

-0.13
19 RRKKRRRKI

7.31

-7.2

0.11
20 RRKKYRRRY

7.45

-7.33

0.12
21 RRKKRRRHI

7.52

-6.37

1.15
22 RRKKRRRRI

7.51

-6.12

1.39
23 RRKKNRRHI

7.6

-6.21

1.39
24 RRKKNRRKI

7.87

-6.3

1.57
25 RRKKNRRRI

7.42

-5.68

1.74
26 RRRKNRRHI

7.76

-5.94

1.82
27 RRHKRRRHI

7.27

-5.36

1.91
28 RRKKYRRKI

7.45

-5.53

1.92
29 RRHKNRRHI

7.44

-5.21

2.23
30 RRKKYRRHI

8.46

-5.73

2.73

 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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