Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-18.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 A 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 6.644 ΔGbinding 1.944
TOTAL
 8.588
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.400
Van der Waals -3.916 Backbone clash 1.181
Electrostatics 0.392 Helix dipole 0.000
Solvation Polar 4.637 Water bridges 0.005
Solvation Hyd -5.317 Disulfide 0.000
VdW clashes 2.385 Electrost. Kon 0.305
Entropy sc 0.418 Part.cov.bonds 0.000
Entropy mc

2.635

 ΔGstability

110.765
       

Predicted ligand sequences for model [SLA1-D1_2A28-18.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-D1_2A28-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHKIRGRRHW 0.0
2 FHKIRSRRHW 0.03
3 FHHIRGRRHW 0.07
4 FHPIRGRRHW 0.08
5 FHKMRGRRHW 0.08
6 FHPIRSRRHW 0.11
7 FHKMRSRRHW 0.11
8 FHHIRSRRHW 0.11
9 FHHMRGRRHW 0.16
10 FHPMRGRRHW 0.16
11 FHKIYGRRHW 0.18
12 FHHMRSRRHW 0.19
13 FHPMRSRRHW 0.2
14 FHKIYSRRHW 0.21
15 FHKIRGRRHR 0.21
16 FHKLRGRRHW 0.22
17 FHKIRSRRHR 0.24
18 FHKIRGWRHW 0.25
19 FHKLRSRRHW 0.25
20 FHHIYGRRHW 0.25
21 FHPIYGRRHW 0.26
22 FHKMYGRRHW 0.26
23 FHKINGRRHW 0.26
24 FHKIRSWRHW 0.28
25 FHHIYSRRHW 0.28
26 FHPIYSRRHW 0.29
27 FHPIRGRRHR 0.29
28 FHHLRGRRHW 0.29
29 FHKMRGRRHR 0.29
30 FHKMYSRRHW 0.29
31 FHKINSRRHW 0.29
32 FHHIRGRRHR 0.29
33 FHPLRGRRHW 0.3
34 FHHIRGWRHW 0.32
35 RHKIRGRRHW 0.32
36 FHHIRSRRHR 0.32
37 FHHMYGRRHW 0.33
38 FHPIRSRRHR 0.33
39 FHPIRGWRHW 0.33
40 FHKMRSRRHR 0.33
41 FHPLRSRRHW 0.33
42 FHHLRSRRHW 0.33
43 FHKMRGWRHW 0.33
44 FHHINGRRHW 0.33
45 FHKMNGRRHW 0.34
46 FHPINGRRHW 0.34
47 FHPMYGRRHW 0.34
48 RHKIRSRRHW 0.35
49 FHHIRSWRHW 0.35
50 FHHMYSRRHW 0.36
51 FHKMRSWRHW 0.36
52 FHPIRSWRHW 0.36
53 FHHINSRRHW 0.36
54 FHPINSRRHW 0.37
55 FHHMRGRRHR 0.37
56 FHPMYSRRHW 0.37
57 FHKMNSRRHW 0.37
58 FHPMRGRRHR 0.38
59 RHHIRGRRHW 0.39
60 FHKIYGRRHR 0.39
61 FHKLYGRRHW 0.4
62 FHHMRSRRHR 0.4
63 RHPIRGRRHW 0.4
64 RHKMRGRRHW 0.4
65 FHPMRSRRHR 0.41
66 FHHMNGRRHW 0.41
67 FHHMRGWRHW 0.41
68 FHPMRGWRHW 0.41
69 RHHIRSRRHW 0.42
70 FHKIYSRRHR 0.42
71 FHPMNGRRHW 0.42
72 RHKMRSRRHW 0.43
73 RHPIRSRRHW 0.43
74 FHKLRGRRHR 0.43
75 FHKLYSRRHW 0.43
76 FHKIYGWRHW 0.43
77 FHHMNSRRHW 0.44
78 FHPMRSWRHW 0.44
79 FHHMRSWRHW 0.44
80 FHPMNSRRHW 0.45
81 FHKIRRRRHW 0.45
82 FHKIRGWRHR 0.46
83 FHKLRSRRHR 0.46
84 FHKIYSWRHW 0.46
85 FHKIRGRRHK 0.46
86 FHHIYGRRHR 0.46
87 FHKLNGRRHW 0.47
88 FHKLRGWRHW 0.47
89 FHKMYGRRHR 0.47
90 FHKINGRRHR 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FHPMRGRRHW

5.38

-8.31

-2.93
2 FHHLRGRRHW

5.37

-8.27

-2.9
3 FHKMRGRRHR

7.81

-9.77

-1.96
4 FHKIRGRRHW

5.54

-6.97

-1.43
5 FHHIRGRRHW

6.51

-6.96

-0.45
6 FHKIYGRRHW

5.01

-5.29

-0.28
7 FHKMRGRRHW

6.49

-6.69

-0.2
8 FHKLRGRRHW

6.42

-6.53

-0.11
9 FHPIRGRRHR

6.66

-6.74

-0.08
10 FHHMRGRRHW

6.3

-5.81

0.49
11 FHKIRGRRHR

6.52

-5.64

0.88
12 FHKMYGRRHW

6.55

-5.51

1.04
13 FHPIRGRRHW

6.54

-5.43

1.11
14 FHPIRSRRHW

8.04

-6.68

1.36
15 FHPIYSRRHW

7.84

-6.48

1.36
16 FHKMYSRRHW

7.07

-5.7

1.37
17 FHPMRSRRHW

7.34

-5.8

1.54
18 FHPIYGRRHW

6.81

-5.25

1.56
19 FHKIRGWRHW

7.0

-4.99

2.01
20 FHKIRSRRHR

8.6

-6.5

2.1
21 FHHMRSRRHW

8.64

-6.44

2.2
22 FHHIYGRRHW

6.59

-4.38

2.21
23 FHKMRSRRHW

8.12

-5.69

2.43
24 FHKLRSRRHW

8.87

-6.43

2.44
25 FHKINGRRHW

7.23

-4.69

2.54
26 FHKIRSWRHW

8.32

-5.54

2.78
27 FHKIYSRRHW

7.89

-5.08

2.81
28 FHKIRSRRHW

9.34

-6.23

3.11
29 FHHIRSRRHW

8.54

-5.31

3.23
30 FHHIYSRRHW

8.33

-4.71

3.62

 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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