Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-1.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 5.648 ΔGbinding -4.507
TOTAL
 1.141
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 1.109
Van der Waals -4.421 Backbone clash 0.186
Electrostatics -0.182 Helix dipole 0.000
Solvation Polar 5.471 Water bridges -0.030
Solvation Hyd -6.505 Disulfide 0.000
VdW clashes 0.376 Electrost. Kon -0.272
Entropy sc 0.614 Part.cov.bonds 0.000
Entropy mc

2.382

 ΔGstability

17.581
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-1.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_1Z9Z-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRRRRFRRRY 0.0
2 FRKRRFRRRY 0.17
3 FRRRRFWRRY 0.17
4 FRRRRTRRRY 0.19
5 FRRRHFRRRY 0.22
6 FRGRRFRRRY 0.23
7 FRVRRFRRRY 0.31
8 FRLRRFRRRY 0.34
9 FRKRRFWRRY 0.34
10 FRRRRTWRRY 0.36
11 FRKRRTRRRY 0.36
12 FRKRHFRRRY 0.39
13 FRRRHFWRRY 0.39
14 FRGRRFWRRY 0.4
15 FRRRHTRRRY 0.41
16 FRGRRTRRRY 0.42
17 FRRRKFRRRY 0.44
18 FRGRHFRRRY 0.45
19 FRVRRFWRRY 0.47
20 FRRRRARRRY 0.48
21 FRVRRTRRRY 0.5
22 FRLRRFWRRY 0.51
23 FRKRRTWRRY 0.53
24 FRLRRTRRRY 0.53
25 FRVRHFRRRY 0.53
26 FRKRHFWRRY 0.56
27 FRLRHFRRRY 0.56
28 FRRRHTWRRY 0.58
29 FRKRHTRRRY 0.58
30 FRGRRTWRRY 0.59
31 FRRRKFWRRY 0.61
32 FRGRHFWRRY 0.61
33 FRKRKFRRRY 0.62
34 FRRRKTRRRY 0.63
35 FRRRRAWRRY 0.64
36 FRGRHTRRRY 0.64
37 FRKRRARRRY 0.65
38 FRGRKFRRRY 0.67
39 FRVRRTWRRY 0.67
40 FRVRHFWRRY 0.69
41 FRRRHARRRY 0.69
42 FRLRRTWRRY 0.7
43 FRGRRARRRY 0.7
44 FRVRHTRRRY 0.72
45 FRLRHFWRRY 0.73
46 FRVRKFRRRY 0.75
47 FRKRHTWRRY 0.75
48 FRLRHTRRRY 0.75
49 FRVRRARRRY 0.78
50 FRLRKFRRRY 0.78
51 FRKRKFWRRY 0.79
52 FRRRKTWRRY 0.8
53 FRGRHTWRRY 0.8
54 FRKRKTRRRY 0.81
55 FRKRRAWRRY 0.82
56 FRLRRARRRY 0.82
57 FRGRKFWRRY 0.84
58 FRGRKTRRRY 0.86
59 FRRRHAWRRY 0.86
60 FRKRHARRRY 0.87
61 FRGRRAWRRY 0.87
62 FRVRHTWRRY 0.88
63 FRGRHARRRY 0.92
64 FRLRHTWRRY 0.92
65 FRRRKARRRY 0.92
66 FRVRKFWRRY 0.92
67 FRVRKTRRRY 0.94
68 FRLRKFWRRY 0.95
69 FRVRRAWRRY 0.95
70 FRLRKTRRRY 0.97
71 FRKRKTWRRY 0.98
72 FRLRRAWRRY 0.98
73 FRVRHARRRY 1.0
74 FRGRKTWRRY 1.03
75 FRKRHAWRRY 1.04
76 FRLRHARRRY 1.04
77 FRGRHAWRRY 1.09
78 FRRRKAWRRY 1.09
79 FRKRKARRRY 1.09
80 FRVRKTWRRY 1.11
81 FRLRKTWRRY 1.14
82 FRGRKARRRY 1.15
83 FRVRHAWRRY 1.17
84 FRLRHAWRRY 1.2
85 FRVRKARRRY 1.23
86 FRKRKAWRRY 1.26
87 FRLRKARRRY 1.26
88 FRGRKAWRRY 1.32
89 FRVRKAWRRY 1.4
90 FRLRKAWRRY 1.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRRRRARRRY

5.95

-18.8

-12.85
2 FRRRRFRRRY

6.02

-17.85

-11.83
3 FRLRRTRRRY

6.51

-17.2

-10.69
4 FRKRHTRRRY

6.69

-16.71

-10.02
5 FRRRHFRRRY

6.63

-16.55

-9.92
6 FRLRRFRRRY

6.2

-15.89

-9.69
7 FRRRKFRRRY

6.35

-15.97

-9.62
8 FRLRHFRRRY

6.43

-15.95

-9.52
9 FRKRRFRRRY

6.8

-16.13

-9.33
10 FRRRRTRRRY

6.8

-16.06

-9.26
11 FRRRHFWRRY

6.64

-15.79

-9.15
12 FRGRRTRRRY

6.67

-15.63

-8.96
13 FRGRRFRRRY

6.38

-15.34

-8.96
14 FRRRRTWRRY

6.7

-15.57

-8.87
15 FRRRHTWRRY

6.2

-15.01

-8.81
16 FRGRHFRRRY

6.39

-15.03

-8.64
17 FRRRRFWRRY

6.35

-14.98

-8.63
18 FRVRRTRRRY

6.8

-15.27

-8.47
19 FRKRHFRRRY

6.45

-14.59

-8.14
20 FRLRRFWRRY

6.35

-14.46

-8.11
21 FRRRHTRRRY

6.3

-14.34

-8.04
22 FRGRRFWRRY

6.01

-13.98

-7.97
23 FRKRRFWRRY

6.57

-14.54

-7.97
24 FRVRRFWRRY

5.8

-13.58

-7.78
25 FRVRRFRRRY

6.4

-14.01

-7.61
26 FRKRRTRRRY

6.75

-14.31

-7.56
27 FRKRRTWRRY

6.0

-12.95

-6.95
28 FRVRHFRRRY

6.22

-13.16

-6.94
29 FRGRRTWRRY

6.5

-13.44

-6.94
30 FRKRHFWRRY

6.71

-13.59

-6.88

 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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