Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
 G
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 1.226 ΔGbinding -2.473
TOTAL
 -1.247
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.253
Van der Waals -3.121 Backbone clash 0.134
Electrostatics -0.092 Helix dipole 0.000
Solvation Polar 3.411 Water bridges -0.157
Solvation Hyd -4.363 Disulfide 0.000
VdW clashes 0.053 Electrost. Kon 0.122
Entropy sc 0.795 Part.cov.bonds 0.000
Entropy mc

1.901

 ΔGstability

13.409
       

Predicted ligand sequences for model [PEX13_1JQQ-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MKRIFPFS 0.0
2 MKRIFYFS 0.07
3 MKRIFPFF 0.14
4 MKRMFPFS 0.16
5 MKRHFPFS 0.19
6 MKRIFYFF 0.22
7 MMRIFPFS 0.22
8 MKRMFYFS 0.24
9 MKRHFYFS 0.26
10 MKRIFRFS 0.28
11 MRRIFPFS 0.29
12 MKRIMPFS 0.29
13 MMRIFYFS 0.29
14 MKRMFPFF 0.3
15 MKRHFPFF 0.33
16 MMRIFPFF 0.36
17 MKRIMYFS 0.37
18 MRRIFYFS 0.37
19 MMRMFPFS 0.38
20 MKRMFYFF 0.38
21 MKRHFYFF 0.4
22 MMRHFPFS 0.41
23 MKRIFRFF 0.42
24 MKRIKPFS 0.42
25 MRRIFPFF 0.43
26 MKRIMPFF 0.43
27 MMRIFYFF 0.43
28 MKRMFRFS 0.44
29 MKRMMPFS 0.45
30 MMRMFYFS 0.46
31 MRRMFPFS 0.46
32 MKRIFPWS 0.47
33 MKRHFRFS 0.47
34 MMRHFYFS 0.48
35 MKRHMPFS 0.48
36 MRRHFPFS 0.48
37 MKRIKYFS 0.5
38 MMRIFRFS 0.5
39 MMRIMPFS 0.51
40 MKRIMYFF 0.51
41 MRRIFYFF 0.51
42 MMRMFPFF 0.52
43 MRRMFYFS 0.53
44 MKRMMYFS 0.53
45 MKRIFYWS 0.54
46 MMRHFPFF 0.55
47 MKRHMYFS 0.55
48 MKRIKPFF 0.56
49 MRRHFYFS 0.56
50 MKRIMRFS 0.57
51 MRRIFRFS 0.57
52 MRRIMPFS 0.58
53 MMRIMYFS 0.58
54 MKRMFRFF 0.58
55 MKRMMPFF 0.59
56 MKRMKPFS 0.59
57 MMRMFYFF 0.6
58 MRRMFPFF 0.6
59 MKRIFPWF 0.61
60 MKRHKPFS 0.61
61 MKRHFRFF 0.61
62 MMRHFYFF 0.62
63 MRRHFPFF 0.62
64 MKRHMPFF 0.62
65 MKRMFPWS 0.63
66 MKRIKYFF 0.64
67 MMRIFRFF 0.64
68 MMRIKPFS 0.64
69 MMRIMPFF 0.65
70 MKRHFPWS 0.66
71 MRRIMYFS 0.66
72 MKRMKYFS 0.66
73 MMRMFRFS 0.66
74 MMRMMPFS 0.67
75 MRRMFYFF 0.67
76 MKRMMYFF 0.67
77 MKRIFYWF 0.68
78 MMRHFRFS 0.69
79 MMRIFPWS 0.69
80 MKRHMYFF 0.69
81 MKRHKYFS 0.69
82 MMRHMPFS 0.7
83 MKRIKRFS 0.7
84 MRRHFYFF 0.7
85 MKRIMRFF 0.71
86 MRRIFRFF 0.71
87 MKRMFYWS 0.71
88 MMRIMYFF 0.72
89 MRRIKPFS 0.72
90 MRRIMPFF 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MMRIFPFF

3.48

-12.84

-9.36
2 MMRIFPFS

2.64

-11.79

-9.15
3 MMRIFYFS

2.39

-11.42

-9.03
4 MKRHFYFF

4.09

-12.75

-8.66
5 MKRMFRFS

2.29

-10.68

-8.39
6 MKRIFRFF

3.75

-11.88

-8.13
7 MMRMFPFS

2.86

-10.74

-7.88
8 MMRHFPFS

2.81

-10.63

-7.82
9 MKRIFPFS

2.64

-10.43

-7.79
10 MKRHFPFS

2.35

-10.02

-7.67
11 MKRMFYFS

2.79

-10.41

-7.62
12 MMRMFYFS

3.67

-11.21

-7.54
13 MKRMFPFS

2.51

-9.93

-7.42
14 MMRIFYFF

3.7

-11.1

-7.4
15 MKRIFPFF

3.08

-10.31

-7.23
16 MRRIFPFF

3.63

-10.81

-7.18
17 MRRIFYFS

2.7

-9.78

-7.08
18 MKRIKPFS

2.98

-9.93

-6.95
19 MKRIFRFS

3.57

-10.51

-6.94
20 MRRIFPFS

3.56

-10.47

-6.91
21 MKRIFYFF

3.59

-10.44

-6.85
22 MKRHFYFS

2.46

-9.25

-6.79
23 MKRMFPFF

3.33

-9.98

-6.65
24 MKRIMPFF

3.03

-9.28

-6.25
25 MKRIMPFS

3.98

-10.16

-6.18
26 MKRIMYFS

3.47

-9.58

-6.11
27 MKRIFYFS

3.28

-9.27

-5.99
28 MKRMMPFS

3.33

-9.21

-5.88
29 MKRHFPFF

5.07

-10.49

-5.42
30 MKRMFYFF

5.92

-9.97

-4.05

 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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