Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-15.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 1.449 ΔGbinding 1.814
TOTAL
 3.263
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.200
Van der Waals -3.963 Backbone clash 0.234
Electrostatics 0.208 Helix dipole 0.000
Solvation Polar 5.218 Water bridges -0.001
Solvation Hyd -5.595 Disulfide 0.000
VdW clashes 2.008 Electrost. Kon 0.155
Entropy sc 0.767 Part.cov.bonds 0.000
Entropy mc

5.369

 ΔGstability

67.809
       

Predicted ligand sequences for model [SLA1-D2_1OV33-15.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_1OV33-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RIFRRFKRI 0.0
2 RIFRRFKRR 0.0
3 RIWRRFKRR 0.01
4 RIWRRFKRI 0.01
5 RIFRRFKRV 0.01
6 RIWRRFKRV 0.02
7 RIYRRFKRR 0.08
8 RIFRKFKRR 0.08
9 RIFRKFKRI 0.08
10 RIWRKFKRI 0.09
11 RIWRKFKRR 0.09
12 RIYRRFKRI 0.09
13 RIWRKFKRV 0.1
14 RIYRRFKRV 0.1
15 RIFRKFKRV 0.1
16 RIWRRFRRR 0.12
17 RIFRRFRRI 0.12
18 RIFRRFRRR 0.12
19 RIWRRFRRI 0.13
20 RIFRRFRRV 0.13
21 RIWRRFRRV 0.14
22 RIYRKFKRR 0.16
23 RIYRKFKRI 0.17
24 RIFRRFLRR 0.18
25 RIYRKFKRV 0.18
26 RIFRIFKRR 0.19
27 RIFRRFLRI 0.19
28 RIWRRFLRR 0.19
29 RIYRRFRRR 0.2
30 RIYRRFRRI 0.2
31 RIFRIFKRI 0.2
32 RIWRIFKRR 0.2
33 RIWRIFKRI 0.2
34 RIFRRFLRV 0.2
35 RIFRKFRRI 0.2
36 RIFRKFRRR 0.2
37 RIWRRFLRI 0.2
38 RIYRRFRRV 0.21
39 RIFRIFKRV 0.21
40 RIWRKFRRI 0.21
41 RIFRKFRRV 0.21
42 RIWRKFRRR 0.21
43 RIWRRFLRV 0.21
44 RFFRRFKRR 0.22
45 RFFRRFKRI 0.22
46 RIWRIFKRV 0.22
47 RIWRKFRRV 0.22
48 RFFRRFKRV 0.23
49 RFWRRFKRI 0.23
50 RFWRRFKRR 0.23
51 RFWRRFKRV 0.24
52 RIWRKFLRR 0.27
53 RIYRIFKRR 0.27
54 RIYRRFLRR 0.27
55 RIYRRFLRI 0.27
56 RIFRKFLRI 0.27
57 RIFRKFLRR 0.27
58 RIWRKFLRI 0.28
59 RIYRRFLRV 0.28
60 RIYRKFRRR 0.28
61 RIYRKFRRI 0.28
62 RIFRKFLRV 0.28
63 RIYRIFKRI 0.28
64 RIWRKFLRV 0.29
65 RIYRKFRRV 0.29
66 RIYRIFKRV 0.29
67 RFFRKFKRI 0.3
68 RFFRKFKRR 0.3
69 RFYRRFKRR 0.3
70 RFFRKFKRV 0.31
71 RFWRKFKRI 0.31
72 RFWRKFKRR 0.31
73 RFYRRFKRI 0.31
74 RIFMRFKRR 0.31
75 RIFRIFRRR 0.31
76 RIFRIFRRI 0.31
77 RFWRKFKRV 0.32
78 RIFMRFKRI 0.32
79 RIFRIFRRV 0.32
80 RIWRIFRRI 0.32
81 RIWRIFRRR 0.32
82 RFYRRFKRV 0.32
83 RIWMRFKRR 0.32
84 RIWMRFKRI 0.32
85 RIWRIFRRV 0.33
86 RIFMRFKRV 0.33
87 RFFRRFRRI 0.34
88 RFFRRFRRR 0.34
89 RFWRRFRRR 0.34
90 RIWMRFKRV 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RIWRRFRRV

3.58

-10.99

-7.41
2 RIWRRFRRI

3.22

-10.38

-7.16
3 RIFRKFKRR

3.2

-9.22

-6.02
4 RIFRRFKRR

3.41

-9.4

-5.99
5 RIFRRFLRI

3.82

-9.03

-5.21
6 RIYRKFKRR

4.62

-9.8

-5.18
7 RIYRKFKRI

2.71

-7.61

-4.9
8 RIWRRFKRI

3.78

-8.54

-4.76
9 RIWRKFKRI

3.75

-8.37

-4.62
10 RIWRRFRRR

3.39

-7.99

-4.6
11 RIFRRFKRI

4.07

-8.66

-4.59
12 RIWRRFLRR

4.28

-8.55

-4.27
13 RIFRRFRRR

2.86

-7.06

-4.2
14 RIYRRFKRI

2.86

-7.0

-4.14
15 RIYRRFKRV

4.56

-8.64

-4.08
16 RIFRRFRRI

3.44

-7.36

-3.92
17 RIFRRFRRV

3.35

-6.98

-3.63
18 RIFRRFLRR

3.42

-7.05

-3.63
19 RIYRKFKRV

4.24

-7.71

-3.47
20 RIFRIFKRR

3.86

-7.16

-3.3
21 RIWRRFKRV

3.76

-7.01

-3.25
22 RIFRKFKRI

3.52

-6.66

-3.14
23 RIWRKFKRR

3.26

-6.39

-3.13
24 RIWRRFKRR

3.2

-6.09

-2.89
25 RIYRRFRRI

3.96

-6.81

-2.85
26 RIYRRFRRR

3.73

-6.52

-2.79
27 RIFRKFKRV

3.19

-5.9

-2.71
28 RIYRRFKRR

4.35

-6.58

-2.23
29 RIFRRFKRV

3.77

-5.86

-2.09
30 RIWRKFKRV

3.06

-4.01

-0.95

 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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