Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-14.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
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 6.319 ΔGbinding 4.402
TOTAL
 10.721
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.215
Van der Waals -4.746 Backbone clash 0.468
Electrostatics 0.653 Helix dipole 0.000
Solvation Polar 5.765 Water bridges 0.068
Solvation Hyd -6.642 Disulfide 0.000
VdW clashes 6.020 Electrost. Kon 0.664
Entropy sc 0.678 Part.cov.bonds 0.000
Entropy mc

4.277

 ΔGstability

112.718
       

Predicted ligand sequences for model [SLA1-D1_2A28-14.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_2A28-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFMIHRKI 0.0
2 RPFMFHRKI 0.02
3 RPRMIHRKI 0.04
4 RPPMIHRKI 0.05
5 RPRMFHRKI 0.06
6 RPFMIHKKI 0.06
7 RPPMFHRKI 0.07
8 RPFMFHKKI 0.08
9 RPRMIHKKI 0.09
10 RPFLIHRKI 0.09
11 RPPMIHKKI 0.11
12 RPFLFHRKI 0.11
13 RPRMFHKKI 0.12
14 RPFMRHRKI 0.13
15 RPPMFHKKI 0.13
16 RPFMIHIKI 0.13
17 RPRLIHRKI 0.13
18 RPFLIHKKI 0.14
19 RPPLIHRKI 0.14
20 RPRLFHRKI 0.15
21 RPFMFHIKI 0.15
22 RPFWIHRKI 0.15
23 RPPLFHRKI 0.16
24 RPFMIHRRI 0.16
25 RPRMIHIKI 0.17
26 RPFWFHRKI 0.17
27 RPRMRHRKI 0.17
28 RPFLFHKKI 0.17
29 RPFMFHRRI 0.18
30 RPPMRHRKI 0.18
31 RPRLIHKKI 0.18
32 RPPMIHIKI 0.18
33 RPRMFHIKI 0.19
34 RPPLIHKKI 0.19
35 RPRMIHRRI 0.19
36 RPRWIHRKI 0.19
37 RPFMRHKKI 0.19
38 RPPWIHRKI 0.2
39 RPRLFHKKI 0.2
40 RPPMFHIKI 0.2
41 RPFWIHKKI 0.21
42 RPRWFHRKI 0.21
43 RPFMIHKRI 0.21
44 RPPMIHRRI 0.21
45 RPFMIHRKV 0.22
46 RPPLFHKKI 0.22
47 RPRMFHRRI 0.22
48 RPPWFHRKI 0.22
49 RPFLRHRKI 0.22
50 RPRMRHKKI 0.22
51 RPFLIHIKI 0.22
52 RPFWFHKKI 0.23
53 RPPMFHRRI 0.23
54 RPFMFHKRI 0.23
55 RPFLIHRRI 0.24
56 RPFMFHRKV 0.24
57 RPFLFHIKI 0.24
58 RPPMRHKKI 0.24
59 RPRWIHKKI 0.25
60 RPRMIHKRI 0.25
61 RPRMIHRKV 0.25
62 RPRLIHIKI 0.26
63 RPRLRHRKI 0.26
64 RPFMRHIKI 0.26
65 RPPMIHKRI 0.26
66 RPFMIWRKI 0.26
67 RPPWIHKKI 0.26
68 RPFLRHKKI 0.27
69 RPFLFHRRI 0.27
70 RPRWFHKKI 0.27
71 RPPLRHRKI 0.27
72 RPRMFHKRI 0.27
73 RPFMIHKKV 0.27
74 RPFMIHRFI 0.27
75 RPPMIHRKV 0.27
76 RPPLIHIKI 0.27
77 RPFMIHRKM 0.28
78 RPRLIHRRI 0.28
79 RPRMFHRKV 0.28
80 RPPMFHKRI 0.28
81 RPFMFWRKI 0.28
82 RPFWRHRKI 0.28
83 RPPWFHKKI 0.28
84 RPRLFHIKI 0.28
85 RPFWIHIKI 0.28
86 RPPLIHRRI 0.29
87 RPFMIHIRI 0.29
88 RPPMFHRKV 0.29
89 RPPLFHIKI 0.29
90 RPFMFHRFI 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPRMIHKKI

5.88

-9.23

-3.35
2 RPRMIHIKI

5.36

-8.09

-2.73
3 RPRMFHRKI

5.64

-8.05

-2.41
4 RPPMRHRKI

5.14

-7.15

-2.01
5 RPPMIHKKI

5.81

-7.5

-1.69
6 RPPMFHRKI

5.78

-7.36

-1.58
7 RPFMIHKKI

6.45

-7.91

-1.46
8 RPPMFHKKI

5.28

-6.59

-1.31
9 RPFMFHKKI

7.32

-8.52

-1.2
10 RPRMIHRKI

6.97

-7.89

-0.92
11 RPFMIHRRI

6.35

-7.08

-0.73
12 RPFMFHRRI

6.07

-6.63

-0.56
13 RPFLFHKKI

5.21

-5.61

-0.4
14 RPFLIHKKI

7.28

-7.5

-0.22
15 RPFMIHIKI

5.92

-6.12

-0.2
16 RPFLFHRKI

5.08

-4.87

0.21
17 RPRMRHRKI

4.86

-4.44

0.42
18 RPFLIHRKI

6.3

-5.74

0.56
19 RPRMFHKKI

5.72

-4.92

0.8
20 RPFMFHIKI

5.54

-4.0

1.54
21 RPFMIHRKI

6.97

-5.4

1.57
22 RPFWIHRKI

6.76

-5.19

1.57
23 RPPMIHRKI

6.1

-4.23

1.87
24 RPFWFHRKI

6.17

-4.08

2.09
25 RPFMFHRKI

5.23

-3.04

2.19
26 RPPLFHRKI

6.46

-3.94

2.52
27 RPPLIHRKI

5.71

-3.13

2.58
28 RPRLIHRKI

7.94

-5.0

2.94
29 RPFMRHRKI

7.7

-4.55

3.15
30 RPRLFHRKI

7.06

-3.36

3.7

 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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