Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-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    

(Help)

Intraclash 5.727 ΔGbinding -2.855
TOTAL
 2.872
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.286
Van der Waals -4.492 Backbone clash 0.107
Electrostatics 0.584 Helix dipole 0.000
Solvation Polar 4.274 Water bridges -0.031
Solvation Hyd -6.571 Disulfide 0.000
VdW clashes 0.537 Electrost. Kon 0.447
Entropy sc 0.712 Part.cov.bonds 0.000
Entropy mc

2.674

 ΔGstability

12.711
       

Predicted ligand sequences for model [PEX13_1N5Z-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).
 
  PEX13_1N5Z-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPRRRGMWW 0.0
2 FPRRRGRWW 0.01
3 FPRRRGWWW 0.01
4 FPKRRGMWW 0.02
5 FPFRRGMWW 0.04
6 FPKRRGWWW 0.04
7 FPKRRGRWW 0.04
8 FPFRRGRWW 0.05
9 FPFRRGWWW 0.05
10 LPRRRGMWW 0.18
11 LPRRRGWWW 0.19
12 LPRRRGRWW 0.19
13 LPKRRGMWW 0.2
14 LPKRRGWWW 0.21
15 LPKRRGRWW 0.21
16 LPFRRGMWW 0.21
17 LPFRRGRWW 0.23
18 LPFRRGWWW 0.23
19 HPRRRGMWW 0.27
20 FPRRRGMWF 0.27
21 FPRRRGRWF 0.28
22 FPRRRGWWF 0.28
23 FPKRRGMWF 0.29
24 HPRRRGRWW 0.29
25 HPRRRGWWW 0.29
26 HPKRRGMWW 0.3
27 FPKRRGRWF 0.3
28 FPKRRGWWF 0.3
29 HPFRRGMWW 0.31
30 HPKRRGRWW 0.31
31 FPFRRGMWF 0.31
32 HPKRRGWWW 0.31
33 FPFRRGRWF 0.32
34 FPFRRGWWF 0.32
35 HPFRRGWWW 0.33
36 HPFRRGRWW 0.33
37 FPRRRGMMW 0.36
38 FPRRRGWMW 0.38
39 FPRRRGRMW 0.38
40 FPKRRGMMW 0.39
41 FPKRRGRMW 0.4
42 FPFRRGMMW 0.4
43 FPKRRGWMW 0.4
44 FPFRRGRMW 0.42
45 FPRRRGMRW 0.42
46 FPFRRGWMW 0.42
47 FPRRRGRRW 0.43
48 LPRRRGMWF 0.44
49 FPKRRGMRW 0.44
50 FPRRRGWRW 0.44
51 LPRRRGWWF 0.46
52 LPRRRGRWF 0.46
53 FPFRRGMRW 0.46
54 FPKRRGRRW 0.46
55 FPKRRGWRW 0.46
56 FPFRRGRRW 0.47
57 LPKRRGMWF 0.47
58 FPFRRGWRW 0.47
59 LPKRRGWWF 0.48
60 LPKRRGRWF 0.48
61 LPFRRGMWF 0.48
62 LPFRRGRWF 0.5
63 LPFRRGWWF 0.5
64 HPRRRGMWF 0.54
65 LPRRRGMMW 0.54
66 LPRRRGRMW 0.55
67 HPRRRGRWF 0.55
68 HPRRRGWWF 0.55
69 LPKRRGMMW 0.56
70 HPKRRGMWF 0.56
71 LPRRRGWMW 0.56
72 LPFRRGMMW 0.58
73 LPKRRGRMW 0.58
74 HPKRRGRWF 0.58
75 HPFRRGMWF 0.58
76 LPKRRGWMW 0.58
77 HPKRRGWWF 0.58
78 LPFRRGRMW 0.59
79 LPFRRGWMW 0.59
80 HPFRRGWWF 0.59
81 HPFRRGRWF 0.59
82 LPRRRGMRW 0.6
83 LPRRRGWRW 0.61
84 LPRRRGRRW 0.61
85 LPKRRGMRW 0.62
86 LPKRRGRRW 0.63
87 FPRRRGMMF 0.63
88 LPFRRGMRW 0.64
89 HPRRRGMMW 0.64
90 LPKRRGWRW 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 LPRRRGMWW

3.87

-13.72

-9.85
2 LPFRRGMWW

3.93

-13.76

-9.83
3 FPRRRGMWW

4.14

-13.82

-9.68
4 LPKRRGRWW

4.21

-13.75

-9.54
5 LPRRRGRWW

4.48

-13.96

-9.48
6 FPFRRGMWW

4.25

-13.51

-9.26
7 LPRRRGWWW

4.11

-13.08

-8.97
8 HPRRRGRWW

4.36

-13.32

-8.96
9 FPFRRGWWW

4.16

-13.07

-8.91
10 FPKRRGMWW

4.36

-13.27

-8.91
11 HPRRRGMWW

4.01

-12.89

-8.88
12 FPRRRGWWW

4.19

-13.04

-8.85
13 LPKRRGMWW

4.32

-13.11

-8.79
14 FPKRRGRWW

4.46

-13.25

-8.79
15 LPFRRGWWW

4.13

-12.9

-8.77
16 FPFRRGRWW

4.56

-13.28

-8.72
17 FPKRRGWWW

4.23

-12.88

-8.65
18 HPKRRGRWW

4.21

-12.84

-8.63
19 FPRRRGRWW

4.6

-13.19

-8.59
20 FPRRRGWWF

3.0

-11.59

-8.59
21 HPKRRGMWW

4.28

-12.79

-8.51
22 FPKRRGWWF

2.64

-11.0

-8.36
23 FPRRRGRWF

2.23

-10.58

-8.35
24 FPKRRGRWF

2.19

-10.53

-8.34
25 FPRRRGMWF

2.93

-11.2

-8.27
26 LPFRRGRWW

4.24

-12.48

-8.24
27 LPKRRGWWW

4.35

-12.52

-8.17
28 FPKRRGMWF

3.32

-11.32

-8.0
29 HPRRRGWWW

4.14

-11.6

-7.46
30 HPFRRGMWW

4.12

-11.07

-6.95

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER