Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-26.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
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 0.636 ΔGbinding -2.505
TOTAL
 -1.869
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.396
Van der Waals -3.715 Backbone clash 0.039
Electrostatics 0.497 Helix dipole 0.000
Solvation Polar 3.623 Water bridges -0.040
Solvation Hyd -5.272 Disulfide 0.000
VdW clashes 0.018 Electrost. Kon 0.423
Entropy sc 0.756 Part.cov.bonds 0.000
Entropy mc

2.086

 ΔGstability

11.260
       

Predicted ligand sequences for model [PEX13_1JQQ-26.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_1JQQ-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRKPRRRRF 0.0
2 DDKPRRRRF 0.07
3 RRKPRRRRF 0.11
4 DRKWRRRRF 0.13
5 DRKPRRRPF 0.14
6 DRKPRRRHF 0.15
7 RDKPRRRRF 0.18
8 DDKWRRRRF 0.2
9 DDKPRRRPF 0.21
10 DDKPRRRHF 0.22
11 DRMPRRRRF 0.23
12 DRKPKRRRF 0.23
13 RRKWRRRRF 0.24
14 KRKPRRRRF 0.24
15 RRKPRRRPF 0.24
16 RRKPRRRHF 0.26
17 DRKWRRRPF 0.26
18 DRRPRRRRF 0.27
19 DHKPRRRRF 0.27
20 DRKWRRRHF 0.28
21 DDMPRRRRF 0.3
22 DDKPKRRRF 0.3
23 RDKWRRRRF 0.31
24 RDKPRRRPF 0.32
25 KDKPRRRRF 0.32
26 RDKPRRRHF 0.33
27 DDKWRRRPF 0.34
28 DDRPRRRRF 0.34
29 RRKPKRRRF 0.34
30 RRMPRRRRF 0.34
31 DDKWRRRHF 0.35
32 DRMPRRRPF 0.36
33 DRMWRRRRF 0.36
34 DRKPKRRPF 0.36
35 DRKWKRRRF 0.36
36 KRKWRRRRF 0.37
37 RRKWRRRPF 0.37
38 KRKPRRRPF 0.38
39 RRRPRRRRF 0.38
40 RHKPRRRRF 0.38
41 DRKPKRRHF 0.38
42 DRMPRRRHF 0.38
43 KRKPRRRHF 0.39
44 RRKWRRRHF 0.39
45 DHKPRRRPF 0.4
46 DRRWRRRRF 0.4
47 DRRPRRRPF 0.4
48 DHKWRRRRF 0.4
49 RDMPRRRRF 0.41
50 RDKPKRRRF 0.41
51 DHKPRRRHF 0.42
52 DRRPRRRHF 0.42
53 DDMWRRRRF 0.43
54 DRKPHRRRF 0.43
55 DDKWKRRRF 0.43
56 DDMPRRRPF 0.44
57 DDKPKRRPF 0.44
58 DDMPRRRHF 0.45
59 KDKPRRRPF 0.45
60 DDKPKRRHF 0.45
61 KDKWRRRRF 0.45
62 RDRPRRRRF 0.45
63 RDKWRRRPF 0.45
64 RDKWRRRHF 0.46
65 DRMPKRRRF 0.46
66 KDKPRRRHF 0.47
67 KRMPRRRRF 0.47
68 DDRWRRRRF 0.47
69 KRKPKRRRF 0.47
70 RRMPRRRPF 0.47
71 RRMWRRRRF 0.47
72 RRKPKRRPF 0.47
73 DRKPRKRRF 0.47
74 RRKWKRRRF 0.47
75 DDRPRRRPF 0.48
76 RRMPRRRHF 0.49
77 DRKWKRRPF 0.49
78 RRKPKRRHF 0.49
79 DHMPRRRRF 0.49
80 DDRPRRRHF 0.49
81 DRMWRRRPF 0.49
82 DHKPKRRRF 0.5
83 DRRPKRRRF 0.5
84 DDKPHRRRF 0.5
85 DRMWRRRHF 0.51
86 DRKWKRRHF 0.51
87 KRRPRRRRF 0.51
88 RRRWRRRRF 0.51
89 RRRPRRRPF 0.51
90 RHKWRRRRF 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRKPRRRPF

1.64

-11.92

-10.28
2 RRKPRRRRF

1.21

-11.48

-10.27
3 DRMPRRRRF

1.17

-11.26

-10.09
4 RRMPRRRRF

1.34

-11.13

-9.79
5 DDKPRRRPF

0.84

-10.13

-9.29
6 DRKPRRRHF

1.48

-10.42

-8.94
7 RDKPRRRRF

1.06

-9.98

-8.92
8 DDKPRRRRF

1.3

-10.18

-8.88
9 RDKPRRRHF

0.96

-9.7

-8.74
10 DDRPRRRRF

1.35

-10.08

-8.73
11 DHKPRRRRF

1.14

-9.87

-8.73
12 DRRPRRRRF

0.75

-9.09

-8.34
13 KDKPRRRRF

1.19

-9.5

-8.31
14 DDMPRRRRF

1.05

-9.31

-8.26
15 DDKWRRRRF

1.56

-9.71

-8.15
16 RDKPRRRPF

1.14

-9.24

-8.1
17 RRKPRRRHF

0.94

-8.99

-8.05
18 DDKPRRRHF

0.81

-8.84

-8.03
19 DRKPRRRRF

1.35

-9.1

-7.75
20 RRKWRRRRF

1.21

-8.94

-7.73
21 DRKPKRRRF

1.41

-8.87

-7.46
22 RRKPKRRRF

1.78

-8.98

-7.2
23 DRKPRRRPF

1.03

-8.2

-7.17
24 DRKWRRRRF

1.27

-8.42

-7.15
25 DDKPKRRRF

0.88

-7.88

-7.0
26 DRKWRRRHF

1.45

-8.39

-6.94
27 KRKPRRRRF

0.95

-7.88

-6.93
28 DDKWRRRPF

1.35

-8.14

-6.79
29 RDKWRRRRF

1.29

-7.56

-6.27
30 DRKWRRRPF

2.29

-7.11

-4.82

 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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