Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-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 6.568 ΔGbinding 2.755
TOTAL
 9.323
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.057
Van der Waals -4.500 Backbone clash 1.578
Electrostatics 0.523 Helix dipole 0.000
Solvation Polar 4.405 Water bridges -0.101
Solvation Hyd -6.478 Disulfide 0.000
VdW clashes 4.526 Electrost. Kon 0.343
Entropy sc 0.688 Part.cov.bonds 0.000
Entropy mc

3.567

 ΔGstability

14.109
       

Predicted ligand sequences for model [PEX13_1N5Z-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).
 
  PEX13_1N5Z-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPIRPIRCL 0.0
2 FPPIRPHRCL 0.04
3 FPPIRPIRCM 0.12
4 FPPLRPIRCL 0.13
5 HPPIRPIRCL 0.16
6 WPPIRPIRCL 0.16
7 FPPIRPHRCM 0.17
8 FPPLRPHRCL 0.17
9 FLPIRPIRCL 0.19
10 WPPIRPHRCL 0.2
11 HPPIRPHRCL 0.2
12 FPRIRPIRCL 0.2
13 FPFIRPIRCL 0.23
14 FLPIRPHRCL 0.23
15 FPRIRPHRCL 0.25
16 FPPLRPIRCM 0.25
17 FPFIRPHRCL 0.28
18 HPPIRPIRCM 0.28
19 FPPIRPMRCL 0.28
20 WPPLRPIRCL 0.29
21 HPPLRPIRCL 0.29
22 WPPIRPIRCM 0.29
23 FPPLRPHRCM 0.3
24 FLPIRPIRCM 0.31
25 FPPIRPIRCW 0.31
26 HPPIRPHRCM 0.32
27 FLPLRPIRCL 0.32
28 WPPIRPHRCM 0.33
29 FPRIRPIRCM 0.33
30 WPPLRPHRCL 0.33
31 FPRLRPIRCL 0.33
32 HPPLRPHRCL 0.33
33 HLPIRPIRCL 0.34
34 FPPIRPHRCW 0.35
35 WLPIRPIRCL 0.35
36 FLPIRPHRCM 0.35
37 WPRIRPIRCL 0.36
38 FPFIRPIRCM 0.36
39 HPRIRPIRCL 0.36
40 FPFLRPIRCL 0.36
41 FLPLRPHRCL 0.36
42 FPRIRPHRCM 0.37
43 FPRLRPHRCL 0.38
44 FLRIRPIRCL 0.39
45 HPFIRPIRCL 0.39
46 WLPIRPHRCL 0.39
47 HLPIRPHRCL 0.39
48 WPFIRPIRCL 0.4
49 FPFIRPHRCM 0.4
50 HPRIRPHRCL 0.4
51 FPPIRPMRCM 0.4
52 HPPLRPIRCM 0.41
53 FPPLRPMRCL 0.41
54 FPFLRPHRCL 0.41
55 WPRIRPHRCL 0.41
56 WPPLRPIRCM 0.42
57 FLFIRPIRCL 0.42
58 FLRIRPHRCL 0.43
59 HPFIRPHRCL 0.43
60 FPPKRPIRCL 0.43
61 HPPIRPMRCL 0.43
62 WPPIRPMRCL 0.44
63 WPFIRPHRCL 0.44
64 FPPLRPIRCW 0.44
65 FLPLRPIRCM 0.44
66 HPPLRPHRCM 0.45
67 HPPIRPIRCW 0.46
68 FLPIRPMRCL 0.46
69 WPPLRPHRCM 0.46
70 FPRLRPIRCM 0.46
71 FLFIRPHRCL 0.46
72 HLPLRPIRCL 0.47
73 WLPIRPIRCM 0.47
74 WPPIRPIRCW 0.47
75 FPPIRPIRML 0.47
76 HLPIRPIRCM 0.47
77 WLPLRPIRCL 0.48
78 FPRIRPMRCL 0.48
79 HPRIRPIRCM 0.48
80 FPPKRPHRCL 0.48
81 FLPLRPHRCM 0.48
82 FPPLRPHRCW 0.48
83 WPRLRPIRCL 0.49
84 WPRIRPIRCM 0.49
85 HPRLRPIRCL 0.49
86 FPFLRPIRCM 0.49
87 FLPIRPIRCW 0.5
88 FPRLRPHRCM 0.5
89 FPPIRPHRML 0.51
90 HPPIRPHRCW 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPLRPHRCL

5.53

-9.94

-4.41
2 FPPLRPIRCL

5.95

-9.08

-3.13
3 HPPIRPHRCM

5.61

-8.66

-3.05
4 WPPLRPIRCL

5.61

-8.51

-2.9
5 WPPIRPIRCM

5.52

-7.92

-2.4
6 FPRIRPIRCM

6.65

-8.89

-2.24
7 FLPIRPHRCL

6.24

-7.6

-1.36
8 WPPLRPHRCL

8.53

-9.81

-1.28
9 FLPIRPIRCM

6.46

-7.72

-1.26
10 FPFIRPIRCL

6.27

-7.48

-1.21
11 HPPIRPHRCL

8.72

-9.75

-1.03
12 FPPLRPHRCM

8.53

-9.42

-0.89
13 FPRIRPHRCL

9.0

-9.87

-0.87
14 FLPLRPIRCL

6.0

-6.76

-0.76
15 FPPLRPIRCM

9.03

-9.78

-0.75
16 FPFIRPHRCL

8.96

-9.38

-0.42
17 WPPIRPHRCM

8.6

-8.87

-0.27
18 FPPIRPHRCM

8.97

-9.09

-0.12
19 FPPIRPHRCL

8.63

-8.56

0.07
20 FPPIRPMRCL

9.09

-8.99

0.1
21 WPPIRPIRCL

8.88

-8.72

0.16
22 HPPIRPIRCM

9.32

-9.03

0.29
23 FPPIRPIRCM

9.17

-8.84

0.33
24 FPPIRPIRCL

9.26

-8.91

0.35
25 WPPIRPHRCL

9.24

-8.88

0.36
26 HPPLRPIRCL

8.84

-8.21

0.63
27 FPRIRPIRCL

9.18

-8.46

0.72
28 HPPIRPIRCL

9.67

-7.97

1.7
29 FPPIRPIRCW

10.33

-8.34

1.99
30 FLPIRPIRCL

9.46

-6.56

2.9

 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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