Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-21.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 8.276 ΔGbinding 3.084
TOTAL
 11.360
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.451
Van der Waals -2.545 Backbone clash 0.219
Electrostatics 0.103 Helix dipole 0.000
Solvation Polar 3.574 Water bridges -0.178
Solvation Hyd -3.229 Disulfide 0.000
VdW clashes 3.922 Electrost. Kon 0.063
Entropy sc 0.797 Part.cov.bonds 0.000
Entropy mc

1.400

 ΔGstability

47.934
       

Predicted ligand sequences for model [SLA1-D3_1KA9-21.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_1KA9-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERRIGHPGRR 0.0
2 ERRIGIPGRR 0.01
3 EHRIGHPGRR 0.01
4 ERRIGMPGRR 0.02
5 EHRIGIPGRR 0.02
6 EHRIGHPGRN 0.02
7 ERRIGHPGRN 0.02
8 ERRIGIPGRN 0.03
9 EHRIGMPGRR 0.03
10 ERRIGMPGRN 0.04
11 EHRIGIPGRN 0.04
12 EHRIGMPGRN 0.04
13 QHRIGHPGRR 0.05
14 QRRIGHPGRR 0.05
15 QRRIGIPGRR 0.06
16 QHRIGHPGRN 0.07
17 QHRIGIPGRR 0.07
18 QHRIGMPGRR 0.07
19 QRRIGMPGRR 0.07
20 QRRIGHPGRN 0.07
21 QRRIGIPGRN 0.08
22 IRRIGHPGRR 0.09
23 QHRIGIPGRN 0.09
24 QHRIGMPGRN 0.09
25 QRRIGMPGRN 0.09
26 IHRIGHPGRR 0.1
27 IRRIGIPGRR 0.1
28 IHRIGIPGRR 0.11
29 IHRIGHPGRN 0.11
30 IRRIGHPGRN 0.11
31 IRRIGMPGRR 0.11
32 IHRIGMPGRR 0.12
33 IRRIGIPGRN 0.12
34 IHRIGMPGRN 0.13
35 IHRIGIPGRN 0.13
36 IRRIGMPGRN 0.13
37 ERRIGHTGRR 0.17
38 EHRIGHTGRR 0.17
39 ERRIGITGRR 0.18
40 ERRIGHTGRN 0.18
41 ERRIGMTGRR 0.18
42 EHRIGITGRR 0.18
43 EHRIGMTGRR 0.19
44 EHRIGHTGRN 0.19
45 ERRIGITGRN 0.2
46 ERRIGMTGRN 0.2
47 EHRIGITGRN 0.2
48 ERIIGHPGRR 0.2
49 EHIIGHPGRR 0.21
50 EHRIGMTGRN 0.21
51 QRRIGHTGRR 0.21
52 ERIIGIPGRR 0.22
53 QHRIGHTGRR 0.22
54 ERIIGMPGRR 0.22
55 ERIIGHPGRN 0.22
56 EHIIGIPGRR 0.22
57 EHIIGHPGRN 0.23
58 QRRIGHTGRN 0.23
59 QHRIGITGRR 0.23
60 QHRIGHTGRN 0.23
61 QRRIGITGRR 0.23
62 EHKIGHPGRR 0.23
63 EHIIGMPGRR 0.23
64 ERKIGHPGRR 0.23
65 QRRIGMTGRR 0.23
66 ERIIGIPGRN 0.24
67 ERIIGMPGRN 0.24
68 QRRIGITGRN 0.24
69 QHRIGMTGRR 0.24
70 ERKIGHPGRN 0.24
71 EHIIGIPGRN 0.24
72 ERKIGIPGRR 0.24
73 EHKIGMPGRR 0.25
74 EHKIGIPGRR 0.25
75 QHRIGITGRN 0.25
76 EHKIGHPGRN 0.25
77 QRIIGHPGRR 0.25
78 QHIIGHPGRR 0.25
79 EHIIGMPGRN 0.25
80 QRRIGMTGRN 0.25
81 ERKIGMPGRR 0.25
82 QRIIGIPGRR 0.26
83 IRRIGHTGRR 0.26
84 IHRIGHTGRR 0.26
85 QHRIGMTGRN 0.26
86 ERKIGIPGRN 0.26
87 ERRIGHQGRR 0.26
88 QHIIGIPGRR 0.27
89 QRIIGMPGRR 0.27
90 EHKIGIPGRN 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 QRRIGIPGRR

4.53

-7.74

-3.21
2 QRRIGHPGRR

4.35

-7.11

-2.76
3 IRRIGHPGRN

3.9

-6.45

-2.55
4 QHRIGMPGRR

4.09

-6.32

-2.23
5 ERRIGHPGRR

4.62

-6.82

-2.2
6 IRRIGIPGRR

3.25

-5.35

-2.1
7 QRRIGIPGRN

3.13

-5.16

-2.03
8 QRRIGMPGRR

6.01

-8.0

-1.99
9 IHRIGHPGRR

5.66

-7.65

-1.99
10 IRRIGHPGRR

3.1

-5.03

-1.93
11 EHRIGHPGRR

5.83

-7.6

-1.77
12 QRRIGHPGRN

4.85

-6.43

-1.58
13 QHRIGHPGRR

5.98

-7.55

-1.57
14 ERRIGIPGRN

3.94

-5.46

-1.52
15 QHRIGHPGRN

6.98

-8.31

-1.33
16 QRRIGMPGRN

6.08

-7.35

-1.27
17 IHRIGIPGRR

6.47

-7.73

-1.26
18 EHRIGIPGRR

6.4

-7.55

-1.15
19 ERRIGHPGRN

5.53

-6.55

-1.02
20 EHRIGMPGRN

5.39

-6.17

-0.78
21 QHRIGIPGRN

5.54

-6.25

-0.71
22 QHRIGIPGRR

6.21

-6.7

-0.49
23 EHRIGIPGRN

6.25

-6.68

-0.43
24 QHRIGMPGRN

6.62

-6.86

-0.24
25 ERRIGMPGRR

6.2

-6.41

-0.21
26 ERRIGIPGRR

7.1

-7.18

-0.08
27 EHRIGMPGRR

6.27

-6.22

0.05
28 IHRIGHPGRN

5.49

-5.37

0.12
29 ERRIGMPGRN

4.43

-4.27

0.16
30 EHRIGHPGRN

7.4

-4.24

3.16

 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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