Predicted ligand sequences


ADAN-name: 1AVZ2.PDB (view again the scoring matrix)

PDB name: [1AVZ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T P Q V P L R P M
position 1 2 3 4 5 6 7 8 9
poly-Ala
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 1.155 ΔGbinding -12.320
TOTAL
 -11.165
Backbone Hb -0.770 Cis_bond 0.000
Sidechain Hb -3.600 Torsional clash 0.040
Van der Waals -6.660 Backbone clash 0.460
Electrostatics -1.660 Helix dipole 0.000
Solvation Polar 6.020 Water bridges -0.800
Solvation Hyd -9.030 Disulfide 0.000
VdW clashes 0.280 Electrost. Kon -1.020
Entropy sc 3.100 Part.cov.bonds 0.000
Entropy mc

1.770

 ΔGstability

13.930
       

Predicted ligand sequences for template [1AVZ2.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).
 
  1AVZ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPYRPHRRR 0.0
2 RPHRPHRRR 0.0
3 RPFRPHRRR 0.01
4 RPHRPRRRR 0.03
5 RPYRPRRRR 0.03
6 RPHRPKRRR 0.04
7 RPFRPRRRR 0.04
8 RPYRPKRRR 0.04
9 RPFRPKRRR 0.05
10 RPYIPHRRR 0.08
11 RPHIPHRRR 0.08
12 RPFIPHRRR 0.09
13 RPYRPHRRH 0.11
14 RPHIPRRRR 0.11
15 RPHRPHRRH 0.11
16 RPYIPRRRR 0.11
17 RPFRPHRRH 0.12
18 RPHIPKRRR 0.12
19 RPYIPKRRR 0.12
20 RPFIPRRRR 0.12
21 RPFIPKRRR 0.13
22 RPHRPRRRH 0.13
23 RPYRPRRRH 0.13
24 RPFRPRRRH 0.14
25 RPHRPKRRH 0.15
26 RPYRPKRRH 0.15
27 RPFRPKRRH 0.16
28 RPYIPHRRH 0.19
29 RPHIPHRRH 0.19
30 RPFIPHRRH 0.2
31 RPYRPHRRK 0.21
32 RPHIPRRRH 0.21
33 RPHRPHRRK 0.21
34 RPYIPRRRH 0.21
35 RPFRPHRRK 0.22
36 RPFIPRRRH 0.22
37 RPHRPRRRK 0.23
38 RPHIPKRRH 0.23
39 RPYIPKRRH 0.23
40 RPYRPRRRK 0.23
41 RPFIPKRRH 0.24
42 RPFRPRRRK 0.24
43 RPHRPKRRK 0.25
44 RPYRPKRRK 0.25
45 RPFRPKRRK 0.26
46 RPYIPHRRK 0.29
47 RPHIPHRRK 0.29
48 RPFIPHRRK 0.3
49 RPHIPRRRK 0.31
50 RPYIPRRRK 0.31
51 RPFIPRRRK 0.32
52 RPHIPKRRK 0.33
53 RPYIPKRRK 0.33
54 RPFIPKRRK 0.34
55 RPYMPHRRR 0.34
56 RPHMPHRRR 0.34
57 RPFMPHRRR 0.35
58 RPYMPRRRR 0.36
59 RPHMPRRRR 0.36
60 RPFMPRRRR 0.37
61 RPHRPHRHR 0.37
62 RPYRPHRHR 0.37
63 RPFRPHRHR 0.38
64 RPHMPKRRR 0.38
65 RPYMPKRRR 0.38
66 RPFMPKRRR 0.39
67 RPHRPHRKR 0.4
68 RPYRPRRHR 0.4
69 RPHRPRRHR 0.4
70 RPYRPHRKR 0.4
71 RPFRPHRKR 0.41
72 RPYRPKRHR 0.41
73 RPFRPRRHR 0.41
74 RPHRPKRHR 0.41
75 RMHRPHRRR 0.42
76 RMYRPHRRR 0.42
77 RPFRPKRHR 0.42
78 RMFRPHRRR 0.43
79 RPHRPRRKR 0.43
80 RPYRPRRKR 0.43
81 RPHRPKRKR 0.44
82 RPFRPRRKR 0.44
83 RPYMPHRRH 0.44
84 RPHMPHRRH 0.44
85 RPYRPKRKR 0.44
86 RLHRPHRRR 0.45
87 RMYRPRRRR 0.45
88 RPFRPKRKR 0.45
89 RPFMPHRRH 0.45
90 RLYRPHRRR 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPHIPKRRR

1.43

-15.68

-14.25
2 RPYIPHRRH

2.1

-16.06

-13.96
3 RPFRPKRRR

1.73

-15.44

-13.71
4 RPYIPHRRR

1.92

-15.55

-13.63
5 RPYIPRRRR

1.78

-15.34

-13.56
6 RPFIPRRRR

1.89

-15.33

-13.44
7 RPYRPHRRR

1.94

-15.35

-13.41
8 RPYRPRRRH

1.96

-15.31

-13.35
9 RPHIPRRRR

2.25

-15.53

-13.28
10 RPHRPHRRH

1.93

-15.16

-13.23
11 RPHRPKRRR

2.42

-15.64

-13.22
12 RPFIPHRRH

2.34

-15.54

-13.2
13 RPFRPKRRH

1.5

-14.7

-13.2
14 RPHIPHRRH

1.88

-15.06

-13.18
15 RPHRPRRRR

1.37

-14.55

-13.18
16 RPYRPHRRH

2.48

-15.49

-13.01
17 RPFRPRRRR

2.46

-15.45

-12.99
18 RPYRPKRRR

1.47

-14.4

-12.93
19 RPHIPHRRR

1.36

-14.19

-12.83
20 RPYRPRRRR

2.37

-15.2

-12.83
21 RPFRPHRRH

2.06

-14.84

-12.78
22 RPFIPKRRR

1.42

-14.06

-12.64
23 RPYRPKRRH

1.96

-14.45

-12.49
24 RPYIPKRRR

1.35

-13.74

-12.39
25 RPHRPHRRR

1.75

-14.05

-12.3
26 RPFIPHRRR

1.72

-13.93

-12.21
27 RPFRPRRRH

1.41

-13.48

-12.07
28 RPHRPRRRH

2.34

-14.4

-12.06
29 RPFRPHRRR

1.43

-13.32

-11.89
30 RPHRPKRRH

1.6

-13.41

-11.81

 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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