Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-21.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
 G
G
 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 1.073 ΔGbinding -0.287
TOTAL
 0.786
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.225
Van der Waals -2.282 Backbone clash 0.204
Electrostatics 0.056 Helix dipole 0.000
Solvation Polar 3.116 Water bridges -0.166
Solvation Hyd -3.011 Disulfide 0.000
VdW clashes 0.334 Electrost. Kon 0.074
Entropy sc 0.313 Part.cov.bonds 0.000
Entropy mc

2.329

 ΔGstability

39.892
       

Predicted ligand sequences for model [SLA1-D3_1CSK-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EERFGRPHKR 0.0
2 EEKFGRPHKR 0.08
3 EERMGRPHKR 0.26
4 EERFQRPHKR 0.3
5 EEKMGRPHKR 0.34
6 EERFGRTHKR 0.35
7 EEKFQRPHKR 0.38
8 EERFGRPHKK 0.44
9 EEKFGRTHKR 0.44
10 EERFGRQHKR 0.46
11 EERFGRRHKR 0.52
12 EEKFGRPHKK 0.52
13 EEKFGRQHKR 0.54
14 EERFGRMHKR 0.54
15 EERFRRPHKR 0.56
16 EERMQRPHKR 0.56
17 EEKFGRRHKR 0.6
18 EERMGRTHKR 0.61
19 EEKFGRMHKR 0.62
20 EEKFRRPHKR 0.64
21 EEKMQRPHKR 0.64
22 EERFQRTHKR 0.66
23 EEKMGRTHKR 0.7
24 EERMGRPHKK 0.7
25 EERMGRQHKR 0.72
26 EEKFQRTHKR 0.74
27 EERFQRPHKK 0.74
28 EERFQRQHKR 0.76
29 EERMGRRHKR 0.78
30 EEKMGRPHKK 0.78
31 EERFGRTHKK 0.79
32 EERMGRMHKR 0.8
33 EEKMGRQHKR 0.8
34 EERMRRPHKR 0.82
35 EERFQRRHKR 0.82
36 EEKFQRPHKK 0.82
37 EERFQRMHKR 0.84
38 EEKFQRQHKR 0.85
39 EEKMGRRHKR 0.86
40 EEKMGRMHKR 0.88
41 EEKFGRTHKK 0.88
42 EEKMRRPHKR 0.9
43 EERFGRQHKK 0.9
44 EERMQRTHKR 0.91
45 EEKFQRRHKR 0.91
46 EEKFQRMHKR 0.92
47 EERFRRTHKR 0.92
48 EERFGRRHKK 0.96
49 EERFGRMHKK 0.98
50 EEKFGRQHKK 0.99
51 EERFRRPHKK 1.0
52 EEKMQRTHKR 1.0
53 EERMQRPHKK 1.0
54 EEKFRRTHKR 1.0
55 EERMQRQHKR 1.02
56 EERFRRQHKR 1.02
57 EEKFGRRHKK 1.04
58 EERMGRTHKK 1.05
59 EEKFGRMHKK 1.06
60 EERMQRRHKR 1.08
61 EERFRRRHKR 1.08
62 EEKMQRPHKK 1.08
63 EEKFRRPHKK 1.09
64 EERFRRMHKR 1.1
65 EEKMQRQHKR 1.1
66 EERMQRMHKR 1.1
67 EERFQRTHKK 1.1
68 EEKFRRQHKR 1.11
69 EEKMGRTHKK 1.14
70 EERMGRQHKK 1.16
71 EEKMQRRHKR 1.17
72 EEKFRRRHKR 1.17
73 EEKFQRTHKK 1.18
74 EEKFRRMHKR 1.18
75 EEKMQRMHKR 1.18
76 EERMRRTHKR 1.18
77 EERFQRQHKK 1.21
78 EERMGRRHKK 1.22
79 EERMGRMHKK 1.24
80 EEKMGRQHKK 1.24
81 EEKMRRTHKR 1.26
82 EERMRRPHKK 1.26
83 EERFQRRHKK 1.27
84 EERMRRQHKR 1.28
85 EERFQRMHKK 1.28
86 EEKFQRQHKK 1.29
87 EEKMGRRHKK 1.3
88 EEKMGRMHKK 1.32
89 EERMRRRHKR 1.34
90 EEKMRRPHKK 1.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EERMGRQHKR

4.14

-7.2

-3.06
2 EERMGRRHKR

3.85

-6.52

-2.67
3 EERFGRMHKR

4.21

-6.87

-2.66
4 EEKMGRTHKR

4.13

-6.29

-2.16
5 EERMGRPHKK

4.19

-5.56

-1.37
6 EEKFGRPHKR

5.15

-6.23

-1.08
7 EEKMGRPHKR

3.84

-4.69

-0.85
8 EEKMQRPHKR

5.68

-6.26

-0.58
9 EERFGRQHKR

4.57

-5.14

-0.57
10 EERMQRPHKR

5.85

-6.1

-0.25
11 EERMGRPHKR

4.33

-4.53

-0.2
12 EEKFGRTHKR

4.48

-4.49

-0.01
13 EEKMGRPHKK

4.86

-4.82

0.04
14 EEKFGRRHKR

4.89

-4.43

0.46
15 EERFGRPHKR

4.35

-3.88

0.47
16 EERMGRTHKR

4.97

-4.15

0.82
17 EERFGRTHKR

5.14

-4.29

0.85
18 EERFGRPHKK

4.8

-3.88

0.92
19 EERFQRPHKK

6.34

-5.4

0.94
20 EERFQRTHKR

6.68

-5.71

0.97
21 EERFQRPHKR

6.18

-4.79

1.39
22 EERFGRRHKR

4.74

-3.27

1.47
23 EEKFGRQHKR

4.1

-2.47

1.63
24 EEKFRRPHKR

5.41

-3.59

1.82
25 EEKFGRPHKK

5.49

-3.63

1.86
26 EEKFGRMHKR

4.98

-2.69

2.29
27 EERFRRPHKR

6.2

-3.68

2.52
28 EEKFQRTHKR

6.4

-3.2

3.2
29 EEKFQRPHKR

6.09

-2.74

3.35
30 EERFQRQHKR

7.27

-3.52

3.75

 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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