Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-5.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
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 2.693 ΔGbinding -1.635
TOTAL
 1.058
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.390
Van der Waals -5.780 Backbone clash 0.196
Electrostatics -0.067 Helix dipole 0.000
Solvation Polar 5.532 Water bridges -0.048
Solvation Hyd -8.605 Disulfide 0.000
VdW clashes 3.004 Electrost. Kon -0.111
Entropy sc 0.801 Part.cov.bonds 0.000
Entropy mc

3.523

 ΔGstability

67.588
       

Predicted ligand sequences for model [SLA1-D2_1OV33-5.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_1OV33-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMRHYFRPHF 0.0
2 FMRHYFRDHF 0.07
3 FMRHYFPPHF 0.11
4 FMRHYFRPHW 0.11
5 FMHHYFRPHF 0.12
6 FMRHYFRDHW 0.17
7 FMRHYFPDHF 0.18
8 FMHHYFRDHF 0.19
9 FMKHYFRPHF 0.19
10 FMRHYFPPHW 0.22
11 FMRHYFRPFF 0.23
12 FMHHYFRPHW 0.23
13 FMRHYFRHHF 0.23
14 FMHHYFPPHF 0.24
15 FMKHYFRDHF 0.25
16 FMRHYRRPHF 0.26
17 FMRHYFPDHW 0.29
18 FMHHYFRDHW 0.29
19 FMKHYFRPHW 0.29
20 FMRHYFRDFF 0.3
21 FMHHYFPDHF 0.3
22 FMRHYFRPKF 0.3
23 FMKHYFPPHF 0.3
24 FMRHYRRDHF 0.32
25 FMRHYFRHHW 0.33
26 FMHHYFPPHW 0.34
27 FMRHYFRPFW 0.34
28 FMRHYFPPFF 0.34
29 FMRHYFPHHF 0.34
30 FMHHYFRPFF 0.35
31 FMHHYFRHHF 0.35
32 FMKHYFRDHW 0.36
33 FMRHYFRDKF 0.36
34 FMRHYRPPHF 0.37
35 FMRHYRRPHW 0.37
36 FMKHYFPDHF 0.37
37 FMHHYRRPHF 0.38
38 FMRHYFRDFW 0.4
39 FMHHYFPDHW 0.41
40 FMRHYFPDFF 0.41
41 FMRHYFPPKF 0.41
42 FMRHYFRPKW 0.41
43 FMKHYFRHHF 0.41
44 FMKHYFPPHW 0.41
45 FMKHYFRPFF 0.42
46 FMHHYFRDFF 0.42
47 FMHHYFRPKF 0.42
48 FMRHYRRDHW 0.43
49 FMRHYRPDHF 0.44
50 FMKHYRRPHF 0.45
51 FMHHYRRDHF 0.45
52 FMRHYFPHHW 0.45
53 FMRHYFPPFW 0.45
54 FMHHYFPHHF 0.46
55 FMHHYFRPFW 0.46
56 FMHHYFRHHW 0.46
57 FMRHYFRHFF 0.46
58 FMHHYFPPFF 0.47
59 FMKHYFPDHW 0.47
60 FMRHYFRDKW 0.47
61 FMRHYFPDKF 0.48
62 FMRHYRPPHW 0.48
63 FMRHYRRHHF 0.48
64 FMKHYFRDFF 0.48
65 FMRHYRRPFF 0.49
66 FMHHYFRDKF 0.49
67 FMHHYRPPHF 0.49
68 FMHHYRRPHW 0.49
69 FMKHYFRPKF 0.49
70 FMKHYRRDHF 0.51
71 FMRHYFPPKW 0.52
72 FMKHYFRHHW 0.52
73 FMRHYFPDFW 0.52
74 FMKHYFRPFW 0.53
75 FMHHYFPDFF 0.53
76 FMKHYFPPFF 0.53
77 FMRHYFRHKF 0.53
78 FMHHYFRDFW 0.53
79 FMKHYFPHHF 0.53
80 FMHHYFRPKW 0.53
81 FMHHYFPPKF 0.54
82 FMRHYRRDFF 0.55
83 FMRHYRPDHW 0.55
84 FMKHYFRDKF 0.55
85 FMHHYRRDHW 0.55
86 FMKHYRRPHW 0.55
87 FMHHYRPDHF 0.56
88 FMRHYFRHFW 0.56
89 FMRHYRRPKF 0.56
90 FMKHYRPPHF 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FMHHYFRDHF

6.5

-10.19

-3.69
2 FMHHYFRDHW

6.93

-10.5

-3.57
3 FMHHYFPDHF

6.63

-10.19

-3.56
4 FMRHYRRDHF

5.36

-8.63

-3.27
5 FMHHYFPPHW

6.72

-9.77

-3.05
6 FMRHYFPPHF

7.63

-10.66

-3.03
7 FMRHYFPDHF

6.43

-9.15

-2.72
8 FMRHYFPHHF

7.18

-9.57

-2.39
9 FMRHYFRPHW

7.21

-9.42

-2.21
10 FMHHYFPPHF

7.12

-9.17

-2.05
11 FMRHYFRPKF

6.37

-8.3

-1.93
12 FMKHYFRDHF

7.53

-9.35

-1.82
13 FMRHYRRPHF

8.03

-9.82

-1.79
14 FMHHYFRPFF

7.68

-9.29

-1.61
15 FMRHYFPPHW

8.11

-9.71

-1.6
16 FMRHYFRDHF

7.03

-8.63

-1.6
17 FMRHYFRHHF

7.53

-9.07

-1.54
18 FMRHYFRDHW

6.75

-8.16

-1.41
19 FMKHYFRPHW

7.58

-8.83

-1.25
20 FMKHYFRPHF

8.18

-9.37

-1.19
21 FMHHYFRPHF

7.36

-8.5

-1.14
22 FMRHYFRPFF

8.06

-8.99

-0.93
23 FMRHYFRPHF

8.17

-8.97

-0.8
24 FMRHYFPPFF

7.91

-8.64

-0.73
25 FMKHYFPPHF

8.09

-8.53

-0.44
26 FMHHYFRPHW

8.58

-8.97

-0.39
27 FMRHYFRHHW

7.58

-7.93

-0.35
28 FMRHYFRPFW

7.59

-7.24

0.35
29 FMRHYFPDHW

9.34

-8.71

0.63
30 FMRHYFRDFF

9.66

-7.5

2.16

 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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