Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-20.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 3.277 ΔGbinding -2.747
TOTAL
 0.530
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.131
Van der Waals -6.000 Backbone clash 0.457
Electrostatics -0.541 Helix dipole 0.000
Solvation Polar 7.846 Water bridges 0.025
Solvation Hyd -8.324 Disulfide 0.000
VdW clashes 0.683 Electrost. Kon -0.539
Entropy sc 1.395 Part.cov.bonds 0.000
Entropy mc

3.853

 ΔGstability

35.452
       

Predicted ligand sequences for model [SLA1-D3_1CSK-20.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_1CSK-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRSFRGKRL 0.0
2 RRSFRGKRL 0.1
3 FRSFRGKRL 0.11
4 YRYFRGKRL 0.33
5 YRFFRGKRL 0.4
6 RRYFRGKRL 0.42
7 FRYFRGKRL 0.43
8 YRSFRGMRL 0.46
9 YRHFRGKRL 0.47
10 RRFFRGKRL 0.49
11 YRPFRGKRL 0.5
12 YKSFRGKRL 0.51
13 FRFFRGKRL 0.51
14 WRSFRGKRL 0.52
15 RRHFRGKRL 0.56
16 RRSFRGMRL 0.56
17 FRSFRGMRL 0.57
18 FRHFRGKRL 0.58
19 RRPFRGKRL 0.6
20 RKSFRGKRL 0.6
21 FRPFRGKRL 0.61
22 FKSFRGKRL 0.62
23 YRSRRGKRL 0.7
24 RRSRRGKRL 0.79
25 YRYFRGMRL 0.79
26 FRSRRGKRL 0.81
27 YKYFRGKRL 0.83
28 WRYFRGKRL 0.85
29 YRFFRGMRL 0.86
30 RRYFRGMRL 0.88
31 FRYFRGMRL 0.9
32 YKFFRGKRL 0.9
33 WRFFRGKRL 0.92
34 RKYFRGKRL 0.93
35 YRHFRGMRL 0.93
36 FKYFRGKRL 0.94
37 RRFFRGMRL 0.95
38 YRPFRGMRL 0.96
39 YKSFRGMRL 0.97
40 YKHFRGKRL 0.97
41 FRFFRGMRL 0.97
42 WRSFRGMRL 0.98
43 WRHFRGKRL 0.99
44 RKFFRGKRL 1.0
45 FKFFRGKRL 1.01
46 YKPFRGKRL 1.01
47 RRHFRGMRL 1.02
48 YRYRRGKRL 1.02
49 WKSFRGKRL 1.03
50 WRPFRGKRL 1.03
51 FRHFRGMRL 1.04
52 RRPFRGMRL 1.06
53 RKSFRGMRL 1.06
54 RKHFRGKRL 1.07
55 FRPFRGMRL 1.07
56 FKHFRGKRL 1.08
57 FKSFRGMRL 1.08
58 YRFRRGKRL 1.09
59 RKPFRGKRL 1.11
60 FKPFRGKRL 1.12
61 RRYRRGKRL 1.12
62 FRYRRGKRL 1.13
63 YRSRRGMRL 1.16
64 YRHRRGKRL 1.16
65 RRFRRGKRL 1.19
66 FRFRRGKRL 1.2
67 YKSRRGKRL 1.2
68 YRPRRGKRL 1.2
69 WRSRRGKRL 1.22
70 RRSRRGMRL 1.25
71 RRHRRGKRL 1.26
72 FRSRRGMRL 1.27
73 FRHRRGKRL 1.27
74 YKYFRGMRL 1.29
75 RKSRRGKRL 1.3
76 RRPRRGKRL 1.3
77 WRYFRGMRL 1.31
78 FKSRRGKRL 1.31
79 FRPRRGKRL 1.31
80 WKYFRGKRL 1.35
81 YKFFRGMRL 1.36
82 WRFFRGMRL 1.38
83 RKYFRGMRL 1.39
84 FKYFRGMRL 1.4
85 WKFFRGKRL 1.43
86 YKHFRGMRL 1.43
87 WRHFRGMRL 1.45
88 RKFFRGMRL 1.46
89 FKFFRGMRL 1.47
90 YKPFRGMRL 1.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRHFRGKRL

3.77

-13.9

-10.13
2 FRSRRGKRL

2.78

-12.79

-10.01
3 YRFFRGMRL

3.0

-12.45

-9.45
4 YRSFRGKRL

2.97

-12.0

-9.03
5 YRFFRGKRL

3.62

-12.27

-8.65
6 FRPFRGKRL

3.27

-11.69

-8.42
7 YRPFRGKRL

2.64

-11.04

-8.4
8 YKSFRGKRL

2.49

-10.74

-8.25
9 RRSFRGMRL

2.68

-10.73

-8.05
10 FRSFRGKRL

2.78

-10.65

-7.87
11 RRSRRGKRL

2.66

-10.5

-7.84
12 YRYFRGMRL

3.0

-10.77

-7.77
13 YRSRRGKRL

2.69

-10.38

-7.69
14 RRFFRGKRL

2.76

-10.29

-7.53
15 RRSFRGKRL

3.14

-10.47

-7.33
16 RKSFRGKRL

5.8

-12.85

-7.05
17 WRYFRGKRL

4.73

-11.76

-7.03
18 FRFFRGKRL

2.49

-9.01

-6.52
19 YRSFRGMRL

2.74

-9.25

-6.51
20 FRHFRGKRL

3.38

-9.86

-6.48
21 YRYFRGKRL

3.8

-10.23

-6.43
22 RRPFRGKRL

3.64

-9.97

-6.33
23 YRHFRGKRL

5.06

-11.16

-6.1
24 FRSFRGMRL

2.5

-8.59

-6.09
25 FKSFRGKRL

5.0

-11.02

-6.02
26 YKYFRGKRL

5.02

-10.26

-5.24
27 WRSFRGKRL

2.89

-7.88

-4.99
28 RRYFRGKRL

4.78

-9.03

-4.25
29 FRYFRGKRL

5.03

-7.79

-2.76
30 RRYFRGMRL

6.68

-7.2

-0.52

 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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