Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-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 3.007 ΔGbinding 9.244
TOTAL
 12.251
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.495
Van der Waals -6.031 Backbone clash 0.522
Electrostatics 1.612 Helix dipole 0.000
Solvation Polar 9.061 Water bridges -0.156
Solvation Hyd -7.983 Disulfide 0.000
VdW clashes 7.939 Electrost. Kon 0.708
Entropy sc 1.070 Part.cov.bonds 0.000
Entropy mc

3.805

 ΔGstability

30.463
       

Predicted ligand sequences for model [PEX13_1JQQ-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_1JQQ-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDPWRPRKKK 0.0
2 RKPWRPRKKK 0.02
3 RDPWRRRKKK 0.02
4 RDRWRPRKKK 0.04
5 RKPWRRRKKK 0.04
6 RRPWRPRKKK 0.04
7 RRPWRRRKKK 0.06
8 RDRWRRRKKK 0.06
9 RKRWRPRKKK 0.07
10 RDPWRKRKKK 0.07
11 RKRWRRRKKK 0.08
12 RRRWRPRKKK 0.09
13 RKPWRKRKKK 0.09
14 RRRWRRRKKK 0.1
15 RRPWRKRKKK 0.11
16 RDRWRKRKKK 0.11
17 RKRWRKRKKK 0.13
18 RRRWRKRKKK 0.15
19 RDPWRPRRKK 0.15
20 RDPWRPRHKK 0.16
21 RDPRRPRKKK 0.17
22 RDPWRRRRKK 0.17
23 RKPWRPRRKK 0.17
24 RDPWRRRHKK 0.18
25 RKPWRPRHKK 0.18
26 RRPWRPRRKK 0.19
27 RDPRRRRKKK 0.19
28 RKPRRPRKKK 0.19
29 RKPWRRRRKK 0.19
30 RKPWRRRHKK 0.2
31 RDRWRPRRKK 0.2
32 RDRWRPRHKK 0.21
33 RRPWRPRHKK 0.21
34 RRPWRRRRKK 0.21
35 RDKWRPRKKK 0.21
36 RRPRRPRKKK 0.21
37 RDRWRRRRKK 0.21
38 RKPRRRRKKK 0.21
39 RDPWRKRRKK 0.22
40 RRPWRRRHKK 0.22
41 RDRRRPRKKK 0.22
42 RKRWRPRRKK 0.22
43 RDPWRKRHKK 0.23
44 RDRRRRRKKK 0.23
45 RDRWRRRHKK 0.23
46 RKRWRRRRKK 0.23
47 RDKWRRRKKK 0.23
48 RKKWRPRKKK 0.23
49 RKRWRPRHKK 0.23
50 RRPRRRRKKK 0.23
51 RRRWRPRRKK 0.24
52 RDPRRKRKKK 0.24
53 RKRRRPRKKK 0.24
54 RKPWRKRRKK 0.24
55 RKRRRRRKKK 0.25
56 RKPWRKRHKK 0.25
57 RRKWRPRKKK 0.25
58 RKRWRRRHKK 0.25
59 RRRWRPRHKK 0.25
60 RKKWRRRKKK 0.25
61 RDPHRPRKKK 0.25
62 RDRWRKRRKK 0.26
63 RRPWRKRRKK 0.26
64 RRRWRRRRKK 0.26
65 RRRRRPRKKK 0.26
66 RKPRRKRKKK 0.26
67 RDPHRRRKKK 0.27
68 RKPHRPRKKK 0.27
69 RRRWRRRHKK 0.27
70 RRKWRRRKKK 0.27
71 RRPWRKRHKK 0.27
72 RDKWRKRKKK 0.28
73 RRPRRKRKKK 0.28
74 RDRWRKRHKK 0.28
75 RRRRRRRKKK 0.28
76 RDRRRKRKKK 0.28
77 RRPHRPRKKK 0.29
78 RKRWRKRRKK 0.29
79 RDRHRPRKKK 0.29
80 RKPHRRRKKK 0.29
81 RKRWRKRHKK 0.3
82 RKRRRKRKKK 0.3
83 RKKWRKRKKK 0.3
84 RRPHRRRKKK 0.31
85 RDRHRRRKKK 0.31
86 RRRWRKRRKK 0.31
87 RKRHRPRKKK 0.32
88 RRRWRKRHKK 0.32
89 RDPHRKRKKK 0.32
90 RDPRRPRRKK 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKPRRPRKKK

2.67

-12.05

-9.38
2 RDPRRPRKKK

2.49

-11.09

-8.6
3 RDPRRRRKKK

3.79

-11.08

-7.29
4 RRRWRRRKKK

3.54

-10.04

-6.5
5 RRPWRRRKKK

3.4

-9.86

-6.46
6 RDRWRPRKKK

3.61

-10.06

-6.45
7 RDRWRRRKKK

3.33

-9.74

-6.41
8 RDPWRRRHKK

2.36

-8.47

-6.11
9 RDPWRRRRKK

3.39

-9.36

-5.97
10 RKRWRPRKKK

3.55

-9.5

-5.95
11 RDRWRKRKKK

4.0

-9.63

-5.63
12 RDPWRPRKKK

3.43

-8.94

-5.51
13 RDPWRPRRKK

3.99

-8.69

-4.7
14 RKPWRKRKKK

3.7

-8.39

-4.69
15 RRPWRPRRKK

3.01

-7.55

-4.54
16 RKRWRKRKKK

2.9

-6.86

-3.96
17 RKPWRPRRKK

3.47

-7.23

-3.76
18 RRPWRKRKKK

2.62

-6.28

-3.66
19 RKPWRPRHKK

3.51

-7.11

-3.6
20 RRRWRPRKKK

3.34

-6.89

-3.55
21 RDPWRPRHKK

3.26

-6.47

-3.21
22 RKPWRRRRKK

3.63

-6.82

-3.19
23 RKPWRPRKKK

3.44

-6.51

-3.07
24 RKPWRRRHKK

3.51

-6.5

-2.99
25 RKPWRRRKKK

3.6

-6.53

-2.93
26 RKRWRRRKKK

3.52

-6.31

-2.79
27 RDPWRRRKKK

3.38

-6.11

-2.73
28 RRPWRPRKKK

2.55

-5.0

-2.45
29 RDPWRKRKKK

3.46

-4.75

-1.29
30 RRRWRKRKKK

2.58

-3.47

-0.89

 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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