Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 4.213 ΔGbinding 1.829
TOTAL
 6.042
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.111
Van der Waals -3.890 Backbone clash 0.003
Electrostatics 0.236 Helix dipole 0.000
Solvation Polar 4.579 Water bridges -0.007
Solvation Hyd -5.053 Disulfide 0.000
VdW clashes 2.367 Electrost. Kon 0.303
Entropy sc 0.692 Part.cov.bonds 0.000
Entropy mc

2.766

 ΔGstability

84.862
       

Predicted ligand sequences for model [SLA1-D2_1JO8-11.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_1JO8-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRPMGRR 0.0
2 YRPMGRY 0.06
3 YRPIGRR 0.11
4 YRPIGRY 0.17
5 YRPMHRR 0.23
6 YRPKGRR 0.25
7 YRPMGNR 0.25
8 YRKMGRR 0.28
9 YRPMHRY 0.3
10 YRPKGRY 0.31
11 YRPMGNY 0.32
12 YRPIHRR 0.34
13 YRKMGRY 0.35
14 YRPIGNR 0.36
15 YRRMGRR 0.39
16 YRKIGRR 0.39
17 YRPMGQR 0.4
18 YRPIHRY 0.41
19 YRPIGNY 0.42
20 YPPMGRR 0.44
21 YRRMGRY 0.45
22 YRPMGQY 0.46
23 YRKIGRY 0.46
24 YRPKHRR 0.48
25 YRPMFRR 0.48
26 YRPMHNR 0.49
27 YRPKGNR 0.5
28 YRRIGRR 0.5
29 YPPMGRY 0.51
30 YRPIGQR 0.51
31 YRKMHRR 0.52
32 YRPMFRY 0.54
33 YRKKGRR 0.54
34 YRKMGNR 0.54
35 YRPMHNY 0.55
36 YPPIGRR 0.55
37 YRPKHRY 0.55
38 YRRIGRY 0.56
39 YRPKGNY 0.57
40 YRPIGQY 0.57
41 YRKMHRY 0.58
42 YRPIFRR 0.59
43 YRPIHNR 0.59
44 YRKKGRY 0.6
45 YRKMGNY 0.6
46 YPPIGRY 0.61
47 YRRMHRR 0.62
48 YRKIHRR 0.63
49 YRPMHQR 0.63
50 YRRKGRR 0.64
51 YRRMGNR 0.64
52 YRKIGNR 0.65
53 YRPKGQR 0.65
54 YRPIFRY 0.65
55 YRPIHNY 0.66
56 YPPMHRR 0.68
57 YRRMHRY 0.68
58 YRKMGQR 0.69
59 YRKIHRY 0.69
60 YPPKGRR 0.69
61 YRRKGRY 0.7
62 YRPMHQY 0.7
63 YPPMGNR 0.7
64 YRRMGNY 0.7
65 YRKIGNY 0.71
66 YRPKGQY 0.72
67 YPKMGRR 0.73
68 YRPKFRR 0.73
69 YRPMFNR 0.73
70 YRRIHRR 0.73
71 YRPKHNR 0.74
72 YRPIHQR 0.74
73 YPPMHRY 0.74
74 YRKMGQY 0.75
75 YRRIGNR 0.75
76 YRKMFRR 0.76
77 YPPMGNY 0.76
78 YPPKGRY 0.76
79 YRKMHNR 0.77
80 YRKKHRR 0.77
81 YPPIHRR 0.78
82 YRRMGQR 0.79
83 YPKMGRY 0.79
84 YRPKFRY 0.79
85 YRPMFNY 0.79
86 YRKKGNR 0.79
87 YRRIHRY 0.79
88 YRKIGQR 0.79
89 YPPIGNR 0.8
90 YRPKHNY 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YRPKHRR

4.0

-8.55

-4.55
2 YRPMHRR

4.28

-8.68

-4.4
3 YRPMGRR

3.28

-7.6

-4.32
4 YRPKGRR

3.66

-7.69

-4.03
5 YRPMHNR

3.66

-7.68

-4.02
6 YPPMGRR

3.92

-7.58

-3.66
7 YRPIHRR

4.48

-8.05

-3.57
8 YRRIGRR

3.61

-6.81

-3.2
9 YRRMGRR

3.87

-7.04

-3.17
10 YRKMGRR

3.7

-6.8

-3.1
11 YRPIHRY

4.66

-7.51

-2.85
12 YPPMGRY

4.31

-7.14

-2.83
13 YRPKGNR

3.82

-6.57

-2.75
14 YRPIGRR

4.61

-7.34

-2.73
15 YRPKGRY

3.87

-6.42

-2.55
16 YRRMGRY

4.09

-6.6

-2.51
17 YRPMGNR

3.84

-6.35

-2.51
18 YRPMHRY

2.95

-5.38

-2.43
19 YRKIGRR

4.49

-6.89

-2.4
20 YRPIGQR

3.83

-6.11

-2.28
21 YRKIGRY

4.33

-6.6

-2.27
22 YRPMGRY

4.15

-6.42

-2.27
23 YRPMGNY

4.32

-6.53

-2.21
24 YRPMGQR

3.63

-5.81

-2.18
25 YRPIGRY

3.94

-6.05

-2.11
26 YRKMGRY

4.19

-6.27

-2.08
27 YRPIGNR

4.14

-6.11

-1.97
28 YRPMGQY

4.14

-5.85

-1.71
29 YRPMFRR

3.93

-5.62

-1.69
30 YRPIGNY

3.99

-5.28

-1.29

 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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