Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_1ZUU-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 11.087 ΔGbinding 10.926
TOTAL
 22.013
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 1.210
Van der Waals -4.914 Backbone clash 1.581
Electrostatics 0.521 Helix dipole 0.000
Solvation Polar 6.924 Water bridges -0.044
Solvation Hyd -6.423 Disulfide 0.000
VdW clashes 8.763 Electrost. Kon 0.366
Entropy sc 0.799 Part.cov.bonds 0.000
Entropy mc

6.773

 ΔGstability

94.358
       

Predicted ligand sequences for model [SLA1-D1_1ZUU-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-D1_1ZUU-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPHIRHRRYF 0.0
2 FPHIRHRRYR 0.03
3 FPHIRHRMYF 0.06
4 FPHIRHRMYR 0.09
5 FPFIRHRRYF 0.15
6 FPHIRHRRYW 0.16
7 FPFIRHRRYR 0.18
8 FPHIRHRHYF 0.19
9 FPYIRHRRYF 0.19
10 RPHIRHRRYF 0.2
11 FPFIRHRMYF 0.21
12 FPHIRNRRYF 0.22
13 FPHIRHRMYW 0.22
14 FPYIRHRRYR 0.22
15 FPHIRHRHYR 0.23
16 RPHIRHRRYR 0.23
17 FPFIRHRMYR 0.24
18 FPHIRNRRYR 0.25
19 FPYIRHRMYF 0.25
20 RPHIRHRMYF 0.26
21 FPYIRHRMYR 0.28
22 FPHIRNRMYF 0.28
23 RPHIRHRMYR 0.29
24 FPFIRHRRYW 0.3
25 FPHIRNRMYR 0.31
26 FPFIRHRHYF 0.34
27 FPHIRHRHYW 0.35
28 FPYIRHRRYW 0.35
29 RPFIRHRRYF 0.35
30 RPHIRHRRYW 0.36
31 FPFIRNRRYF 0.37
32 FPFIRHRHYR 0.37
33 FPFIRHRMYW 0.37
34 FPHIRNRRYW 0.38
35 RPFIRHRRYR 0.38
36 FPYIRHRHYF 0.39
37 RPHIRHRHYF 0.39
38 RPYIRHRRYF 0.39
39 FPFIRNRRYR 0.4
40 RPFIRHRMYF 0.41
41 FPYIRNRRYF 0.41
42 FPYIRHRMYW 0.41
43 RPHIRHRMYW 0.42
44 FPHIRNRHYF 0.42
45 FPYIRHRHYR 0.42
46 RPYIRHRRYR 0.42
47 RPHIRNRRYF 0.42
48 RPHIRHRHYR 0.43
49 FPFIRNRMYF 0.43
50 RPFIRHRMYR 0.44
51 FPYIRNRRYR 0.44
52 FPHIRNRMYW 0.44
53 FPHIRNRHYR 0.45
54 RPYIRHRMYF 0.45
55 RPHIRNRRYR 0.45
56 FPFIRNRMYR 0.46
57 FPYIRNRMYF 0.47
58 RPYIRHRMYR 0.48
59 RPHIRNRMYF 0.48
60 FPFIRHRHYW 0.5
61 FPYIRNRMYR 0.51
62 RPHIRNRMYR 0.51
63 RPFIRHRRYW 0.51
64 FPFIRNRRYW 0.53
65 FPYIRHRHYW 0.54
66 RPFIRHRHYF 0.54
67 RPHIRHRHYW 0.55
68 RPYIRHRRYW 0.55
69 FPFIRNRHYF 0.56
70 RPFIRHRMYW 0.57
71 FPHIRNRHYW 0.57
72 RPFIRNRRYF 0.57
73 RPFIRHRHYR 0.57
74 FPYIRNRRYW 0.57
75 RPYIRHRHYF 0.58
76 RPHIRNRRYW 0.58
77 FPFIRNRHYR 0.59
78 FPFIRNRMYW 0.59
79 RPFIRNRRYR 0.6
80 FPYIRNRHYF 0.61
81 RPYIRNRRYF 0.61
82 RPYIRHRMYW 0.61
83 RPHIRNRHYF 0.61
84 RPYIRHRHYR 0.62
85 FPYIRNRMYW 0.63
86 RPFIRNRMYF 0.63
87 RPHIRNRMYW 0.64
88 FPYIRNRHYR 0.64
89 RPYIRNRRYR 0.64
90 RPHIRNRHYR 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPHIRHRMYF

10.95

-4.6

6.35
2 FPFIRHRRYR

12.31

-5.17

7.14
3 FPHIRHRRYR

11.42

-4.16

7.26
4 FPFIRHRMYR

11.07

-3.72

7.35
5 FPHIRHRHYR

12.17

-4.61

7.56
6 FPHIRHRMYW

11.04

-3.42

7.62
7 FPHIRHRHYW

12.5

-4.84

7.66
8 FPYIRHRRYR

11.7

-4.0

7.7
9 FPHIRHRMYR

11.5

-3.79

7.71
10 RPFIRHRRYF

11.63

-3.83

7.8
11 FPYIRHRRYF

11.9

-4.09

7.81
12 RPHIRHRRYW

10.82

-3.0

7.82
13 RPHIRHRRYR

11.67

-3.72

7.95
14 FPFIRHRHYF

11.46

-3.48

7.98
15 FPHIRHRHYF

11.17

-3.03

8.14
16 RPHIRHRMYR

12.45

-4.08

8.37
17 FPHIRHRRYW

12.46

-4.0

8.46
18 FPFIRHRRYF

10.47

-1.96

8.51
19 FPFIRHRRYW

12.0

-3.48

8.52
20 FPFIRHRMYF

10.83

-2.28

8.55
21 FPHIRHRRYF

11.29

-2.68

8.61
22 FPHIRNRRYF

12.18

-3.55

8.63
23 FPYIRHRRYW

12.27

-3.63

8.64
24 FPHIRNRMYF

12.49

-3.82

8.67
25 FPHIRHRMYF

11.99

-3.18

8.81
26 FPYIRHRMYF

12.26

-3.42

8.84
27 FPYIRHRMYR

12.27

-3.35

8.92
28 FPHIRNRMYR

12.13

-2.75

9.38
29 RPHIRHRRYF

12.86

-3.32

9.54
30 FPHIRNRRYR

13.41

-3.58

9.83

 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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