Predicted ligand sequences


ADAN-name: 1PRL2.PDB (view again the scoring matrix)

PDB name: [1PRL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A F A P P L P R R
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 12.510 ΔGbinding -2.400
TOTAL
 10.110
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.100
Van der Waals -2.910 Backbone clash 0.140
Electrostatics -0.280 Helix dipole 0.000
Solvation Polar 2.230 Water bridges -0.160
Solvation Hyd -4.530 Disulfide 0.000
VdW clashes 0.440 Electrost. Kon -0.020
Entropy sc 1.020 Part.cov.bonds 0.000
Entropy mc

1.700

 ΔGstability

74.000
       

Predicted ligand sequences for template [1PRL2.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).
 
  1PRL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 GGLREGKDV 0.0
2 CGLREGKDV 0.0
3 AGLREGKDV 0.0
4 GGLRPGKDV 0.01
5 CGLRPGKDV 0.01
6 AGLRPGKDV 0.01
7 GGLRDGKDV 0.02
8 AGLRDGKDV 0.02
9 CGLRDGKDV 0.02
10 CHLREGKDV 0.03
11 GHLREGKDV 0.03
12 AHLREGKDV 0.03
13 CHLRPGKDV 0.04
14 CGLREGRDV 0.04
15 AALREGKDV 0.04
16 GGLREGRDV 0.04
17 AGLKEGKDV 0.04
18 CGLKEGKDV 0.04
19 CALREGKDV 0.04
20 GALREGKDV 0.04
21 GHLRPGKDV 0.04
22 AHLRPGKDV 0.04
23 GGLKEGKDV 0.04
24 AGLREGRDV 0.04
25 GGLKPGKDV 0.05
26 AHLRDGKDV 0.05
27 AALRPGKDV 0.05
28 GHLRDGKDV 0.05
29 AGLKPGKDV 0.05
30 GALRPGKDV 0.05
31 CGLKPGKDV 0.05
32 CHLRDGKDV 0.05
33 CALRPGKDV 0.05
34 AALRDGKDV 0.06
35 CGLRPGRDV 0.06
36 CGLKDGKDV 0.06
37 AGLRPGRDV 0.06
38 GGLRDGRDV 0.06
39 AGLRDGRDV 0.06
40 GALRDGKDV 0.06
41 AGLKDGKDV 0.06
42 CGLRDGRDV 0.06
43 CALRDGKDV 0.06
44 GGLKDGKDV 0.06
45 GGLRPGRDV 0.06
46 GHLREGRDV 0.07
47 AHLKEGKDV 0.07
48 AHLREGRDV 0.07
49 CHLKEGKDV 0.07
50 GHLKEGKDV 0.07
51 CHLREGRDV 0.07
52 CHLKPGKDV 0.08
53 GALKEGKDV 0.08
54 AGLREGKNV 0.08
55 GALREGRDV 0.08
56 CALREGRDV 0.08
57 AHLKPGKDV 0.08
58 GGLREGKNV 0.08
59 GHLKPGKDV 0.08
60 CGLREGKNV 0.08
61 CALKEGKDV 0.08
62 AALREGRDV 0.08
63 AALKEGKDV 0.08
64 GHLKDGKDV 0.09
65 AHLKDGKDV 0.09
66 GHLRDGRDV 0.09
67 GALKPGKDV 0.09
68 AGLKEGRDV 0.09
69 AGLRPGKNV 0.09
70 CHLKDGKDV 0.09
71 AHLRPGRDV 0.09
72 CALKPGKDV 0.09
73 CGLRPGKNV 0.09
74 GHLRPGRDV 0.09
75 CGLKEGRDV 0.09
76 GGLRPGKNV 0.09
77 AALKPGKDV 0.09
78 GGLKEGRDV 0.09
79 AHLRDGRDV 0.09
80 CHLRDGRDV 0.09
81 CHLRPGRDV 0.09
82 CALRDGRDV 0.1
83 GGLREGKDG 0.1
84 CALKDGKDV 0.1
85 CGLRDGKNV 0.1
86 AGLRDGKNV 0.1
87 AGLKPGRDV 0.1
88 AALRDGRDV 0.1
89 CGLREGKDG 0.1
90 CGLKPGRDV 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GGLKPGKDV

4.97

-3.47

1.5
2 CGLRPGKDV

6.12

-3.84

2.28
3 AALRPGKDV

6.07

-3.76

2.31
4 CHLRPGKDV

6.11

-3.77

2.34
5 CHLREGKDV

6.02

-3.65

2.37
6 AGLRPGKDV

6.17

-3.75

2.42
7 AHLRPGKDV

6.08

-3.66

2.42
8 AALREGKDV

6.05

-3.59

2.46
9 AGLKPGKDV

6.04

-3.56

2.48
10 GGLREGKDV

6.07

-3.58

2.49
11 GGLRPGKDV

6.11

-3.62

2.49
12 GGLREGRDV

6.21

-3.7

2.51
13 CGLREGKDV

6.1

-3.58

2.52
14 CGLRDGKDV

6.18

-3.64

2.54
15 CGLREGRDV

6.21

-3.66

2.55
16 GGLRDGKDV

6.12

-3.55

2.57
17 AGLREGKDV

6.15

-3.55

2.6
18 AGLRDGKDV

6.27

-3.65

2.62
19 GGLKEGKDV

6.03

-3.41

2.62
20 AHLRDGKDV

6.19

-3.56

2.63
21 AGLREGRDV

6.28

-3.61

2.67
22 CGLKEGKDV

6.08

-3.4

2.68
23 GHLRDGKDV

6.25

-3.51

2.74
24 GALREGKDV

6.15

-3.39

2.76
25 AHLREGKDV

6.32

-3.47

2.85
26 GALRPGKDV

6.35

-3.45

2.9
27 AGLKEGKDV

6.3

-3.32

2.98
28 CALREGKDV

6.49

-3.33

3.16
29 GHLREGKDV

6.45

-3.28

3.17
30 GHLRPGKDV

6.09

-2.58

3.51

 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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