Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-12.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala 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 0.500 ΔGbinding -0.292
TOTAL
 0.208
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.425
Van der Waals -2.242 Backbone clash 0.016
Electrostatics 0.072 Helix dipole 0.000
Solvation Polar 3.233 Water bridges -0.004
Solvation Hyd -2.813 Disulfide 0.000
VdW clashes 0.124 Electrost. Kon 0.064
Entropy sc 0.594 Part.cov.bonds 0.000
Entropy mc

1.531

 ΔGstability

14.848
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 YWWNRRRR 0.0
2 YWWNPRRR 0.06
3 RWWNRRRR 0.08
4 YWWNHRRR 0.09
5 RWWNPRRR 0.14
6 RWWNHRRR 0.17
7 YWWNKRRR 0.19
8 KWWNRRRR 0.21
9 YWWNRRRK 0.21
10 KWWNPRRR 0.27
11 RWWNKRRR 0.27
12 YWWNPRRK 0.27
13 RWWNRRRK 0.29
14 KWWNHRRR 0.3
15 YWWNHRRK 0.31
16 RWWNPRRK 0.35
17 RWWNHRRK 0.38
18 KWWNKRRR 0.4
19 YWWNRRRH 0.4
20 YWWNKRRK 0.41
21 YWWNRRRP 0.41
22 KWWNRRRK 0.42
23 FWWNRRRR 0.44
24 YWWNPRRH 0.46
25 YWWNPRRP 0.47
26 KWWNPRRK 0.48
27 RWWNRRRH 0.48
28 RWWNKRRK 0.48
29 YMWNRRRR 0.48
30 RWWNRRRP 0.49
31 YWWNHRRH 0.49
32 YWWNHRRP 0.5
33 FWWNPRRR 0.5
34 KWWNHRRK 0.52
35 RWWNPRRH 0.53
36 FWWNHRRR 0.54
37 YMWNPRRR 0.54
38 RWWNPRRP 0.55
39 RMWNRRRR 0.56
40 RWWNHRRH 0.57
41 YMWNHRRR 0.57
42 RWWNHRRP 0.58
43 YWWNKRRH 0.59
44 YWWNKRRP 0.6
45 KWWNRRRH 0.61
46 KWWNKRRK 0.61
47 KWWNRRRP 0.62
48 RMWNPRRR 0.62
49 FWWNKRRR 0.63
50 RMWNHRRR 0.65
51 FWWNRRRK 0.66
52 KWWNPRRH 0.67
53 YMWNKRRR 0.67
54 RWWNKRRH 0.67
55 KWWNPRRP 0.68
56 RWWNKRRP 0.68
57 KMWNRRRR 0.69
58 KWWNHRRH 0.7
59 YMWNRRRK 0.7
60 KWWNHRRP 0.71
61 FWWNPRRK 0.72
62 FWWNHRRK 0.75
63 KMWNPRRR 0.75
64 RMWNKRRR 0.75
65 YMWNPRRK 0.76
66 RMWNRRRK 0.77
67 KMWNHRRR 0.78
68 YMWNHRRK 0.79
69 KWWNKRRH 0.8
70 KWWNKRRP 0.81
71 RMWNPRRK 0.83
72 FWWNRRRH 0.84
73 FWWNKRRK 0.85
74 FWWNRRRP 0.85
75 RMWNHRRK 0.87
76 KMWNKRRR 0.88
77 YMWNRRRH 0.88
78 YMWNKRRK 0.89
79 YMWNRRRP 0.89
80 FWWNPRRH 0.9
81 KMWNRRRK 0.9
82 FWWNPRRP 0.91
83 FWWNHRRH 0.93
84 FMWNRRRR 0.93
85 YMWNPRRH 0.94
86 FWWNHRRP 0.95
87 YMWNPRRP 0.95
88 RMWNRRRH 0.96
89 KMWNPRRK 0.96
90 RMWNKRRK 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KWWNRRRR

3.1

-9.31

-6.21
2 RWWNKRRK

2.91

-6.85

-3.94
3 YWWNKRRR

4.01

-7.38

-3.37
4 YWWNHRRR

2.58

-5.94

-3.36
5 RWWNRRRP

3.3

-6.55

-3.25
6 YWWNRRRR

3.27

-6.46

-3.19
7 YWWNKRRK

3.09

-6.15

-3.06
8 YWWNPRRP

2.83

-5.88

-3.05
9 KWWNHRRR

3.03

-5.99

-2.96
10 RWWNHRRK

2.75

-5.69

-2.94
11 YWWNPRRH

2.9

-5.74

-2.84
12 RWWNHRRR

4.12

-6.76

-2.64
13 YMWNRRRR

4.94

-7.55

-2.61
14 FWWNRRRR

3.84

-6.44

-2.6
15 KWWNRRRK

2.84

-5.36

-2.52
16 YWWNHRRK

2.86

-5.37

-2.51
17 RWWNRRRH

3.01

-5.5

-2.49
18 YWWNRRRP

3.37

-5.76

-2.39
19 RWWNKRRR

3.54

-5.79

-2.25
20 RWWNPRRK

2.85

-5.06

-2.21
21 YWWNRRRH

2.93

-5.09

-2.16
22 RWWNRRRR

3.59

-5.66

-2.07
23 KWWNPRRR

4.86

-6.86

-2.0
24 YWWNPRRK

3.05

-5.05

-2.0
25 RWWNPRRR

3.24

-4.96

-1.72
26 RWWNRRRK

4.71

-6.31

-1.6
27 YWWNPRRR

3.31

-4.82

-1.51
28 KWWNKRRR

3.55

-4.81

-1.26
29 YWWNRRRK

4.29

-4.73

-0.44
30 KWWNPRRK

3.96

-4.4

-0.44

 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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