Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-17.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
G
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 9.890 ΔGbinding 2.331
TOTAL
 12.221
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.227
Van der Waals -5.968 Backbone clash 0.180
Electrostatics -0.460 Helix dipole 0.000
Solvation Polar 8.607 Water bridges 0.000
Solvation Hyd -8.030 Disulfide 0.000
VdW clashes 5.139 Electrost. Kon -0.516
Entropy sc 2.232 Part.cov.bonds 0.000
Entropy mc

4.149

 ΔGstability

44.538
       

Predicted ligand sequences for model [SLA1-D3_1KA9-17.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-D3_1KA9-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRIRGRSR 0.0
2 RRWIRGRSR 0.03
3 RRRMRGRSR 0.04
4 RRRKRGRSR 0.06
5 RRFIRGRSR 0.07
6 RRWMRGRSR 0.07
7 RRKIRGRSR 0.07
8 RRRIRGRSY 0.08
9 RRWKRGRSR 0.09
10 RRWIRGRSY 0.11
11 RRKMRGRSR 0.11
12 RRFMRGRSR 0.11
13 RRRMRGRSY 0.12
14 RRFKRGRSR 0.13
15 RRKKRGRSR 0.13
16 RRRKRGRSY 0.14
17 RRFIRGRSY 0.15
18 RRWMRGRSY 0.15
19 RRKIRGRSY 0.15
20 RRWKRGRSY 0.17
21 RRRRRGRSR 0.18
22 RRFMRGRSY 0.19
23 RRKMRGRSY 0.2
24 RRFKRGRSY 0.21
25 RRWRRGRSR 0.21
26 RRKKRGRSY 0.22
27 RRFRRGRSR 0.25
28 RRKRRGRSR 0.26
29 RRRRRGRSY 0.27
30 YRRIRGRSR 0.28
31 RRWRRGRSY 0.29
32 YRWIRGRSR 0.3
33 KRRIRGRSR 0.32
34 YRRMRGRSR 0.32
35 RRFRRGRSY 0.33
36 RRKRRGRSY 0.34
37 YRFIRGRSR 0.34
38 YRRKRGRSR 0.34
39 YRWMRGRSR 0.35
40 YRKIRGRSR 0.35
41 KRWIRGRSR 0.35
42 YRRIRGRSY 0.36
43 KRRMRGRSR 0.36
44 YRWKRGRSR 0.36
45 KRRKRGRSR 0.38
46 YRWIRGRSY 0.39
47 KRWMRGRSR 0.39
48 YRFMRGRSR 0.39
49 YRKMRGRSR 0.39
50 KRFIRGRSR 0.39
51 YRFKRGRSR 0.4
52 YRRMRGRSY 0.4
53 KRKIRGRSR 0.4
54 KRRIRGRSY 0.41
55 MRRIRGRSR 0.41
56 KRWKRGRSR 0.41
57 YRKKRGRSR 0.41
58 YRRKRGRSY 0.42
59 YRWMRGRSY 0.43
60 YRKIRGRSY 0.43
61 YRFIRGRSY 0.43
62 MRWIRGRSR 0.43
63 KRWIRGRSY 0.43
64 KRFMRGRSR 0.43
65 KRKMRGRSR 0.44
66 MRRMRGRSR 0.45
67 KRFKRGRSR 0.45
68 KRRMRGRSY 0.45
69 YRWKRGRSY 0.45
70 KRKKRGRSR 0.46
71 YRRRRGRSR 0.46
72 MRRKRGRSR 0.47
73 KRWMRGRSY 0.47
74 YRFMRGRSY 0.47
75 YRKMRGRSY 0.47
76 KRRKRGRSY 0.47
77 MRFIRGRSR 0.47
78 MRWMRGRSR 0.47
79 KRFIRGRSY 0.47
80 KRKIRGRSY 0.48
81 MRKIRGRSR 0.48
82 MRRIRGRSY 0.49
83 KRWKRGRSY 0.49
84 YRFKRGRSY 0.49
85 MRWKRGRSR 0.49
86 YRWRRGRSR 0.49
87 YRKKRGRSY 0.49
88 MRFMRGRSR 0.51
89 MRWIRGRSY 0.51
90 KRRRRGRSR 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRMRGRSY

6.34

-10.49

-4.15
2 RRRRRGRSY

6.34

-10.27

-3.93
3 RRKMRGRSY

7.19

-11.02

-3.83
4 RRFMRGRSY

6.24

-9.76

-3.52
5 RRKIRGRSY

6.84

-10.35

-3.51
6 RRWMRGRSY

6.22

-9.53

-3.31
7 RRRKRGRSY

6.72

-9.83

-3.11
8 RRFMRGRSR

7.39

-10.29

-2.9
9 RRFIRGRSY

6.61

-9.4

-2.79
10 RRWIRGRSY

6.36

-9.0

-2.64
11 RRKKRGRSY

6.77

-9.26

-2.49
12 RRKKRGRSR

7.47

-9.86

-2.39
13 RRKIRGRSR

7.3

-9.06

-1.76
14 RRWKRGRSY

7.47

-8.81

-1.34
15 RRFKRGRSY

7.36

-8.3

-0.94
16 RRFIRGRSR

7.8

-8.74

-0.94
17 RRKMRGRSR

7.77

-8.68

-0.91
18 RRRIRGRSY

5.83

-6.71

-0.88
19 RRRKRGRSR

7.45

-8.02

-0.57
20 RRFRRGRSR

6.74

-6.85

-0.11
21 RRRIRGRSR

6.77

-6.52

0.25
22 RRWRRGRSR

7.62

-7.37

0.25
23 RRWIRGRSR

8.85

-8.49

0.36
24 RRFKRGRSR

7.15

-6.78

0.37
25 RRRMRGRSR

7.32

-6.87

0.45
26 YRRIRGRSR

6.8

-6.24

0.56
27 RRRRRGRSR

7.58

-6.84

0.74
28 RRWKRGRSR

8.07

-7.32

0.75
29 RRKRRGRSR

6.68

-4.87

1.81
30 RRWMRGRSR

7.84

-5.51

2.33

 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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