Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-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 1.214 ΔGbinding -0.203
TOTAL
 1.011
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.406
Van der Waals -3.208 Backbone clash 0.832
Electrostatics 0.153 Helix dipole 0.000
Solvation Polar 3.044 Water bridges 0.014
Solvation Hyd -4.866 Disulfide 0.000
VdW clashes 1.510 Electrost. Kon 0.151
Entropy sc 0.450 Part.cov.bonds 0.000
Entropy mc

2.143

 ΔGstability

14.724
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-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_1Z9Z-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPPINSRRYR 0.0
2 YPPINGRRYR 0.05
3 YPPINSRRYW 0.07
4 YPKINSRRYR 0.09
5 YPHINSRRYR 0.1
6 YPFINSRRYR 0.12
7 YPPINGRRYW 0.12
8 YPKINGRRYR 0.14
9 YPPINSRRYK 0.15
10 YPPINSRRYF 0.15
11 YPHINGRRYR 0.15
12 YPHINSRRYW 0.16
13 YPKINSRRYW 0.16
14 YPFINGRRYR 0.17
15 YPFINSRRYW 0.19
16 YPPINGRRYF 0.2
17 YPKINGRRYW 0.21
18 YPPINGRRYK 0.21
19 YPHINGRRYW 0.22
20 YPFINGRRYW 0.24
21 YPKINSRRYF 0.24
22 YPKINSRRYK 0.24
23 YPHINSRRYF 0.25
24 YPHINSRRYK 0.25
25 YPFINSRRYK 0.27
26 YPFINSRRYF 0.27
27 YPKINGRRYF 0.29
28 YPPLNSRRYR 0.3
29 YPHINGRRYF 0.3
30 YPHINGRRYK 0.3
31 YPKINGRRYK 0.3
32 YPFINGRRYF 0.32
33 YPFINGRRYK 0.33
34 YPPLNGRRYR 0.35
35 YPPLNSRRYW 0.36
36 YPHLNSRRYR 0.39
37 YPKLNSRRYR 0.39
38 YPPLNGRRYW 0.42
39 YPFLNSRRYR 0.42
40 YPKLNGRRYR 0.44
41 YPHLNGRRYR 0.45
42 YPPLNSRRYK 0.45
43 YPPLNSRRYF 0.45
44 YPKLNSRRYW 0.45
45 KPPINSRRYR 0.46
46 YPHLNSRRYW 0.46
47 YPFLNGRRYR 0.47
48 YPFLNSRRYW 0.48
49 YPPLNGRRYK 0.5
50 YPPLNGRRYF 0.5
51 YPHLNGRRYW 0.51
52 YPKLNGRRYW 0.51
53 KPPINGRRYR 0.51
54 KPPINSRRYW 0.52
55 YPFLNGRRYW 0.54
56 YPKLNSRRYF 0.54
57 YPKLNSRRYK 0.54
58 YPHLNSRRYF 0.54
59 KPKINSRRYR 0.55
60 KPHINSRRYR 0.55
61 YPHLNSRRYK 0.55
62 YPFLNSRRYF 0.57
63 YPFLNSRRYK 0.57
64 KPFINSRRYR 0.58
65 KPPINGRRYW 0.58
66 YPKLNGRRYF 0.59
67 YPKLNGRRYK 0.59
68 KPPINSRRYF 0.6
69 YPHLNGRRYF 0.6
70 YPHLNGRRYK 0.6
71 KPKINGRRYR 0.6
72 KPPINSRRYK 0.61
73 KPKINSRRYW 0.61
74 KPHINGRRYR 0.61
75 YPFLNGRRYK 0.62
76 YPFLNGRRYF 0.62
77 KPHINSRRYW 0.62
78 KPFINGRRYR 0.63
79 KPFINSRRYW 0.64
80 KPPINGRRYF 0.66
81 KPPINGRRYK 0.66
82 KPHINGRRYW 0.67
83 KPKINGRRYW 0.67
84 KPFINGRRYW 0.7
85 KPKINSRRYK 0.7
86 KPKINSRRYF 0.7
87 KPHINSRRYF 0.7
88 KPHINSRRYK 0.71
89 KPFINSRRYK 0.73
90 KPFINSRRYF 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPPLNSRRYR

3.33

-9.04

-5.71
2 YPPINSRRYR

3.39

-8.96

-5.57
3 YPHINGRRYW

3.36

-8.76

-5.4
4 YPFINGRRYR

3.11

-8.48

-5.37
5 YPPINGRRYF

2.43

-7.73

-5.3
6 YPHINGRRYK

2.54

-7.75

-5.21
7 YPHINGRRYR

3.72

-8.88

-5.16
8 YPKINGRRYF

2.39

-7.54

-5.15
9 YPKINGRRYR

2.21

-7.26

-5.05
10 YPHINGRRYF

3.56

-8.59

-5.03
11 YPHINSRRYW

3.15

-8.18

-5.03
12 YPHINSRRYR

3.42

-8.28

-4.86
13 YPFINGRRYW

2.73

-7.57

-4.84
14 YPPINGRRYR

3.68

-8.5

-4.82
15 YPPINGRRYK

3.15

-7.97

-4.82
16 YPKINSRRYR

3.75

-8.45

-4.7
17 YPPINGRRYW

2.61

-7.25

-4.64
18 YPKINGRRYW

2.38

-6.95

-4.57
19 YPFINSRRYK

3.61

-8.15

-4.54
20 YPFINSRRYR

3.45

-7.99

-4.54
21 YPKINSRRYF

4.52

-8.91

-4.39
22 YPFINSRRYW

4.36

-8.71

-4.35
23 YPHINSRRYK

3.47

-7.78

-4.31
24 YPPINSRRYF

3.16

-7.3

-4.14
25 YPPINSRRYW

3.28

-7.41

-4.13
26 YPKINSRRYK

4.73

-8.86

-4.13
27 YPPINSRRYK

3.42

-7.26

-3.84
28 YPFINSRRYF

4.48

-8.29

-3.81
29 YPHINSRRYF

3.93

-7.25

-3.32
30 YPKINSRRYW

4.24

-7.26

-3.02

 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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