Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-9.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala 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 0.767 ΔGbinding -1.172
TOTAL
 -0.405
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.418
Van der Waals -3.944 Backbone clash 0.137
Electrostatics -0.009 Helix dipole 0.000
Solvation Polar 4.460 Water bridges -0.000
Solvation Hyd -5.265 Disulfide 0.000
VdW clashes 0.524 Electrost. Kon -0.093
Entropy sc 0.524 Part.cov.bonds 0.000
Entropy mc

3.487

 ΔGstability

62.534
       

Predicted ligand sequences for model [SLA1-D2_1OV33-9.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_1OV33-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 KPPIHFRW 0.0
2 KPPIHFFW 0.02
3 KPPMHFRW 0.03
4 KPPRHFRW 0.03
5 KPPMHFFW 0.06
6 KPPRHFFW 0.06
7 KIPIHFRW 0.09
8 KPFIHFRW 0.1
9 KPWIHFRW 0.1
10 KIPIHFFW 0.11
11 KPFIHFFW 0.12
12 KIPMHFRW 0.12
13 KIPRHFRW 0.12
14 KPWIHFFW 0.12
15 KPFRHFRW 0.13
16 KPWRHFRW 0.13
17 KPFMHFRW 0.13
18 KPWMHFRW 0.13
19 KIPRHFFW 0.14
20 KIPMHFFW 0.14
21 KPFRHFFW 0.15
22 KPPIHYRW 0.15
23 KPFMHFFW 0.15
24 KPWRHFFW 0.15
25 KPWMHFFW 0.15
26 KPPIHYFW 0.17
27 KPPIHPRW 0.17
28 KPPMHYRW 0.18
29 KIWIHFRW 0.18
30 KIFIHFRW 0.18
31 KPPRHYRW 0.18
32 KPPIHPFW 0.19
33 KPPMHPRW 0.2
34 KIWIHFFW 0.2
35 KIFIHFFW 0.2
36 KPPRHPRW 0.2
37 KPPIHFRF 0.2
38 KPPRHYFW 0.2
39 KIFRHFRW 0.21
40 KIFMHFRW 0.21
41 KPPMHYFW 0.21
42 KIWRHFRW 0.21
43 KIWMHFRW 0.22
44 KPPRHPFW 0.22
45 KPPMHPFW 0.23
46 KPPIHFFF 0.23
47 KIPIHYRW 0.23
48 KPPRHFRF 0.23
49 KRPIHFRW 0.24
50 KIFRHFFW 0.24
51 KPPMHFRF 0.24
52 KIWMHFFW 0.24
53 KIWRHFFW 0.24
54 KIFMHFFW 0.24
55 KIPIHPRW 0.25
56 KPFIHYRW 0.25
57 KPWIHYRW 0.25
58 KPPMHFFF 0.26
59 KIPIHYFW 0.26
60 KPPRHFFF 0.26
61 KPFIHYFW 0.27
62 KIPMHYRW 0.27
63 KRPIHFFW 0.27
64 KIPRHYRW 0.27
65 KPWIHPRW 0.27
66 KPFIHPRW 0.27
67 KPWIHYFW 0.27
68 KPFRHYRW 0.28
69 KPFMHYRW 0.28
70 KRPMHFRW 0.28
71 KIPIHPFW 0.28
72 KPWRHYRW 0.28
73 KRPRHFRW 0.28
74 KPWMHYRW 0.28
75 KIPMHYFW 0.29
76 KPWIHPFW 0.29
77 KIPMHPRW 0.29
78 KIPRHYFW 0.29
79 KPFIHPFW 0.29
80 KIPIHFRF 0.29
81 KIPRHPRW 0.29
82 KPFMHPRW 0.3
83 KPWRHYFW 0.3
84 KPWMHYFW 0.3
85 KPFRHPRW 0.3
86 KPFIHFRF 0.3
87 KPFMHYFW 0.3
88 KRPMHFFW 0.3
89 KPWIHFRF 0.3
90 KPWRHPRW 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KPPIHPRW

2.49

-5.08

-2.59
2 KPWIHFRW

2.56

-4.65

-2.09
3 KPPIHFRW

2.67

-4.54

-1.87
4 KPPMHFRW

2.92

-4.77

-1.85
5 KPWMHFRW

2.79

-4.45

-1.66
6 KPPIHYRW

3.09

-4.64

-1.55
7 KPFIHFRW

3.36

-4.88

-1.52
8 KIPIHFRW

3.43

-4.93

-1.5
9 KPPMHYRW

3.28

-4.69

-1.41
10 KPFRHFRW

2.97

-4.24

-1.27
11 KPWIHFFW

4.09

-4.92

-0.83
12 KIPMHFRW

3.46

-4.1

-0.64
13 KIFIHFRW

3.59

-4.09

-0.5
14 KPPMHFFW

3.74

-4.21

-0.47
15 KPPRHFRW

3.32

-3.74

-0.42
16 KIWIHFRW

4.12

-4.54

-0.42
17 KPWMHFFW

3.3

-3.69

-0.39
18 KIPRHFRW

3.76

-4.12

-0.36
19 KPWRHFRW

3.5

-3.74

-0.24
20 KPPIHYFW

4.17

-4.37

-0.2
21 KPFMHFRW

4.17

-4.2

-0.03
22 KPFRHFFW

4.37

-4.38

-0.01
23 KIPMHFFW

4.75

-4.73

0.02
24 KPPRHFFW

3.06

-2.82

0.24
25 KPPIHFFW

5.07

-4.79

0.28
26 KPFIHFFW

4.15

-3.71

0.44
27 KIPIHFFW

5.27

-4.82

0.45
28 KIPRHFFW

5.24

-4.62

0.62
29 KPFMHFFW

4.71

-3.91

0.8
30 KPWRHFFW

4.55

-3.44

1.11

 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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