Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-18.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
G
 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 1.608 ΔGbinding -0.354
TOTAL
 1.254
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.470
Van der Waals -3.950 Backbone clash 1.262
Electrostatics -0.326 Helix dipole 0.000
Solvation Polar 4.736 Water bridges -0.116
Solvation Hyd -5.590 Disulfide 0.000
VdW clashes 1.026 Electrost. Kon -0.360
Entropy sc 0.762 Part.cov.bonds 0.000
Entropy mc

2.993

 ΔGstability

43.885
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-18.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_UJ0-CSK-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHFIPSHRCY 0.0
2 FHPIPSHRCY 0.03
3 FHYIPSHRCY 0.11
4 FHFIKSHRCY 0.15
5 FHFIPGHRCY 0.15
6 FHFIWSHRCY 0.17
7 FHPIKSHRCY 0.18
8 FHPIPGHRCY 0.19
9 FHPIWSHRCY 0.21
10 FKFIPSHRCY 0.22
11 FHFIPSHRCQ 0.22
12 FHPIPSHRCQ 0.25
13 FHYIKSHRCY 0.26
14 FKPIPSHRCY 0.26
15 FHFIPSHRAY 0.26
16 FHYIPGHRCY 0.26
17 FHYIWSHRCY 0.28
18 FHPIPSHRAY 0.29
19 FHFIKGHRCY 0.3
20 FHYIPSHRCQ 0.33
21 FHPIKGHRCY 0.33
22 FHFIWGHRCY 0.33
23 FKYIPSHRCY 0.33
24 FHFIKSHRCQ 0.36
25 FHPIWGHRCY 0.36
26 FKFIKSHRCY 0.37
27 FHFIPGHRCQ 0.37
28 FHYIPSHRAY 0.37
29 FKFIPGHRCY 0.38
30 FHFIWSHRCQ 0.39
31 FHPIKSHRCQ 0.4
32 FKPIKSHRCY 0.4
33 FHFIKSHRAY 0.4
34 FKFIWSHRCY 0.4
35 FHFIPGHRAY 0.41
36 FHYIKGHRCY 0.41
37 FKPIPGHRCY 0.41
38 FHPIPGHRCQ 0.41
39 FHPIWSHRCQ 0.43
40 FKPIWSHRCY 0.43
41 FHFIWSHRAY 0.43
42 FKFIPSHRCQ 0.44
43 FHPIKSHRAY 0.44
44 FHYIWGHRCY 0.44
45 FHFIPSRRCY 0.45
46 FHPIPGHRAY 0.45
47 FHFIPSIRCY 0.46
48 FHYIKSHRCQ 0.47
49 FPFIPSHRCY 0.47
50 FKPIPSHRCQ 0.47
51 FHPIWSHRAY 0.47
52 RHFIPSHRCY 0.47
53 FHPIPSRRCY 0.48
54 FKYIKSHRCY 0.48
55 FKYIPGHRCY 0.48
56 FKFIPSHRAY 0.48
57 FHFIPSHRAQ 0.48
58 FHYIPGHRCQ 0.48
59 FHYIWSHRCQ 0.5
60 FHPIPSIRCY 0.5
61 RHPIPSHRCY 0.5
62 FKYIWSHRCY 0.51
63 FKPIPSHRAY 0.51
64 FPPIPSHRCY 0.51
65 FHPIPSHRAQ 0.51
66 FHYIKSHRAY 0.51
67 FHYIPGHRAY 0.52
68 FKFIKGHRCY 0.52
69 FHFIKGHRCQ 0.52
70 FHYIWSHRAY 0.54
71 FKFIWGHRCY 0.55
72 FHPIKGHRCQ 0.55
73 FHFIWGHRCQ 0.55
74 FKYIPSHRCQ 0.55
75 FHFIKGHRAY 0.56
76 FHYIPSRRCY 0.56
77 FKPIKGHRCY 0.56
78 FHYIPSIRCY 0.57
79 RHYIPSHRCY 0.58
80 FPYIPSHRCY 0.58
81 FKPIWGHRCY 0.58
82 FHYIPSHRAQ 0.58
83 FHPIWGHRCQ 0.58
84 FHPIKGHRAY 0.59
85 FKFIPGHRCQ 0.59
86 FKFIKSHRCQ 0.59
87 FHFIWGHRAY 0.59
88 FHFIKSRRCY 0.59
89 FKYIPSHRAY 0.59
90 FHFIPGRRCY 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FHPIPSHRAY

1.83

-8.01

-6.18
2 FHFIPSHRAY

2.26

-8.44

-6.18
3 FHYIPSHRAY

2.12

-7.33

-5.21
4 FHFIWGHRCY

1.04

-6.22

-5.18
5 FHPIKGHRCY

1.07

-6.13

-5.06
6 FKFIPGHRCY

1.33

-6.2

-4.87
7 FHPIPGHRCY

1.39

-6.09

-4.7
8 FHPIWGHRCY

1.21

-5.72

-4.51
9 FHFIKSHRCY

2.38

-6.74

-4.36
10 FHFIPGHRCY

1.54

-5.26

-3.72
11 FHYIPGHRCY

1.71

-5.4

-3.69
12 FKFIKSHRCY

1.96

-5.51

-3.55
13 FHFIKGHRCY

1.92

-5.21

-3.29
14 FHPIKSHRCY

3.24

-6.45

-3.21
15 FKYIPSHRCY

2.78

-5.75

-2.97
16 FHFIPSHRCY

2.43

-5.31

-2.88
17 FHFIWSHRCY

2.93

-5.8

-2.87
18 FKPIPSHRCY

2.36

-5.2

-2.84
19 FHYIKSHRCY

2.22

-5.01

-2.79
20 FHYIWSHRCY

1.92

-4.62

-2.7
21 FHPIPSHRCY

2.54

-5.2

-2.66
22 FHYIPSHRCY

2.27

-4.8

-2.53
23 FHPIWSHRCY

2.13

-4.38

-2.25
24 FHFIWSHRCQ

2.41

-4.56

-2.15
25 FHPIPSHRCQ

2.69

-4.82

-2.13
26 FHFIPGHRCQ

2.05

-4.14

-2.09
27 FHFIPSHRCQ

2.54

-4.36

-1.82
28 FKFIPSHRCY

2.95

-4.75

-1.8
29 FHYIPSHRCQ

2.23

-3.61

-1.38
30 FHFIKSHRCQ

2.86

-3.58

-0.72

 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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