Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-28.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
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 4.817 ΔGbinding 5.294
TOTAL
 10.111
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.429
Van der Waals -5.705 Backbone clash 0.316
Electrostatics 1.028 Helix dipole 0.000
Solvation Polar 8.622 Water bridges -0.229
Solvation Hyd -7.406 Disulfide 0.000
VdW clashes 6.796 Electrost. Kon 0.528
Entropy sc 1.093 Part.cov.bonds 0.000
Entropy mc

3.963

 ΔGstability

15.492
       

Predicted ligand sequences for model [PEX13_1N5Z-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPPMRPHPRK 0.0
2 FPPMRPHPRK 0.04
3 MPPMRRHPRK 0.09
4 MPPMRPHPRR 0.09
5 MPPMRKHPRK 0.13
6 FPPMRPHPRR 0.13
7 FPPMRRHPRK 0.13
8 FPPMRKHPRK 0.17
9 MPPMRPHKRK 0.18
10 MPPMRRHPRR 0.18
11 MPPMRPHRRK 0.19
12 MPPKRPHPRK 0.19
13 MPEMRPHPRK 0.2
14 FPPMRRHPRR 0.22
15 FPPMRPHKRK 0.22
16 FPPKRPHPRK 0.23
17 MPPMRKHPRR 0.23
18 FPPMRPHRRK 0.23
19 FPEMRPHPRK 0.24
20 FPPMRKHPRR 0.26
21 MPPMRRHKRK 0.27
22 MPPMRPHKRR 0.27
23 MPPMRRHRRK 0.28
24 MPPMRPHRRR 0.28
25 MPPKRPHPRR 0.28
26 MPPKRRHPRK 0.28
27 MDPMRPHPRK 0.29
28 MPEMRRHPRK 0.29
29 MPEMRPHPRR 0.29
30 FPPMRPHKRR 0.31
31 FPPMRRHKRK 0.31
32 FPPKRPHPRR 0.32
33 MPPMRKHKRK 0.32
34 MPPMRKHRRK 0.32
35 FPPMRRHRRK 0.32
36 FPPMRPHRRR 0.32
37 FPPKRRHPRK 0.32
38 FPEMRPHPRR 0.33
39 MPEMRKHPRK 0.33
40 FDPMRPHPRK 0.33
41 MPPKRKHPRK 0.33
42 FPEMRRHPRK 0.33
43 FPPMRKHKRK 0.35
44 FPPKRKHPRK 0.36
45 MPPMRRHKRR 0.36
46 FPPMRKHRRK 0.36
47 MPPMRRHRRR 0.37
48 MPPKRPHKRK 0.37
49 FPEMRKHPRK 0.37
50 MPPKRRHPRR 0.37
51 MPEMRPHKRK 0.38
52 MDPMRPHPRR 0.38
53 MPPKRPHRRK 0.38
54 MDPMRRHPRK 0.38
55 MPEMRRHPRR 0.38
56 MPEMRPHRRK 0.39
57 MPEKRPHPRK 0.39
58 FPPMRRHKRR 0.4
59 MPPMRKHKRR 0.41
60 FPPKRPHKRK 0.41
61 FPPMRRHRRR 0.41
62 FPPKRRHPRR 0.41
63 FPEMRPHKRK 0.42
64 MPEMRKHPRR 0.42
65 FDPMRRHPRK 0.42
66 FDPMRPHPRR 0.42
67 MDPMRKHPRK 0.42
68 MPPMRKHRRR 0.42
69 MPPKRKHPRR 0.42
70 FPPKRPHRRK 0.42
71 FPEMRRHPRR 0.42
72 FPEKRPHPRK 0.43
73 FPEMRPHRRK 0.43
74 FPPMRKHKRR 0.44
75 FPPMRKHRRR 0.45
76 FPPKRKHPRR 0.46
77 MPPKRRHKRK 0.46
78 MPPKRPHKRR 0.46
79 FDPMRKHPRK 0.46
80 FPEMRKHPRR 0.46
81 LPPMRPHPRK 0.46
82 MPEMRPHKRR 0.47
83 MPPKRRHRRK 0.47
84 MPPKRPHRRR 0.47
85 MDPMRRHPRR 0.47
86 MDPMRPHKRK 0.47
87 MPEMRRHKRK 0.47
88 MPEMRPHRRR 0.48
89 MPEMRRHRRK 0.48
90 MDPMRPHRRK 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPPMRKHPRR

3.28

-13.92

-10.64
2 MPPMRRHPRK

3.59

-14.16

-10.57
3 MPPMRKHPRK

3.43

-13.89

-10.46
4 MPPMRPHKRK

2.76

-13.22

-10.46
5 FPPMRPHRRK

2.73

-12.66

-9.93
6 MPPMRRHPRR

3.65

-13.57

-9.92
7 FPPMRKHPRR

2.85

-12.59

-9.74
8 FPPMRPHKRR

2.48

-12.14

-9.66
9 FPPMRRHPRR

4.21

-13.8

-9.59
10 MPPKRRHPRK

3.44

-12.97

-9.53
11 FPPMRRHPRK

2.88

-12.32

-9.44
12 MPPMRRHKRK

2.27

-11.4

-9.13
13 FPPMRKHPRK

2.91

-11.57

-8.66
14 MPPMRRHRRK

3.15

-11.13

-7.98
15 FPPMRPHPRK

3.21

-11.19

-7.98
16 MPEMRRHPRK

2.13

-10.03

-7.9
17 MPPMRPHRRR

1.93

-9.82

-7.89
18 FPPMRPHKRK

2.82

-10.67

-7.85
19 FPEMRPHPRK

3.47

-11.27

-7.8
20 MPEMRPHPRR

3.02

-10.74

-7.72
21 MPPMRPHRRK

3.51

-10.89

-7.38
22 MPPMRPHKRR

3.8

-11.11

-7.31
23 MPPMRPHPRK

2.23

-9.5

-7.27
24 MPPKRPHPRR

2.56

-9.46

-6.9
25 FPPMRPHPRR

3.53

-10.42

-6.89
26 FPPKRPHPRK

2.14

-8.73

-6.59
27 MPPKRPHPRK

2.16

-8.73

-6.57
28 MPEMRPHPRK

2.12

-8.66

-6.54
29 MPPMRPHPRR

3.02

-8.93

-5.91
30 MDPMRPHPRK

2.47

-6.94

-4.47

 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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