Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-27.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
G
 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 0.879 ΔGbinding -0.971
TOTAL
 -0.092
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.203
Van der Waals -4.641 Backbone clash 0.167
Electrostatics -0.514 Helix dipole 0.000
Solvation Polar 5.067 Water bridges 0.000
Solvation Hyd -6.089 Disulfide 0.000
VdW clashes 3.764 Electrost. Kon -0.395
Entropy sc 0.843 Part.cov.bonds 0.000
Entropy mc

2.065

 ΔGstability

16.349
       

Predicted ligand sequences for model [PEX13_1JQQ-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHRPRWPRK 0.0
2 FHRPRPPRK 0.04
3 FRRPRWPRK 0.12
4 FHRPRLPRK 0.12
5 FHRPRWFRK 0.13
6 FHRPRWPRR 0.13
7 FRRPRPPRK 0.15
8 FHKPRWPRK 0.16
9 FHRPRPFRK 0.17
10 FHRPRPPRR 0.17
11 FHRPRWPRW 0.19
12 FHKPRPPRK 0.2
13 FHRPRWMRK 0.22
14 FHRPRPPRW 0.22
15 FRRPRLPRK 0.23
16 MHRPRWPRK 0.23
17 FRRPRWFRK 0.25
18 FRRPRWPRR 0.25
19 FHRPRLFRK 0.25
20 FHRPRLPRR 0.25
21 FHRPRPMRK 0.26
22 FHRPRWFRR 0.26
23 MHRPRPPRK 0.27
24 FRRPRPPRR 0.28
25 FHKPRLPRK 0.28
26 FRKPRWPRK 0.28
27 FRRPRPFRK 0.29
28 FHKPRWFRK 0.29
29 FHKPRWPRR 0.29
30 FHRPRPFRR 0.3
31 FRRPRWPRW 0.3
32 FHRPRLPRW 0.3
33 FHRPRWFRW 0.32
34 FRKPRPPRK 0.32
35 FHKPRPFRK 0.33
36 FHKPRPPRR 0.33
37 FHRPRLMRK 0.33
38 FRRPRWMRK 0.33
39 FRRPRPPRW 0.34
40 MHRPRLPRK 0.35
41 MRRPRWPRK 0.35
42 FHKPRWPRW 0.35
43 FHRPRWMRR 0.35
44 MHRPRWFRK 0.36
45 FHRPRPFRW 0.36
46 FRRPRLFRK 0.36
47 MHRPRWPRR 0.36
48 FRRPRLPRR 0.36
49 FRRPRPMRK 0.37
50 FRRPRWFRR 0.38
51 FHKPRWMRK 0.38
52 MRRPRPPRK 0.38
53 FHRPRLFRR 0.38
54 FRKPRLPRK 0.39
55 FHKPRPPRW 0.39
56 FHRPRPMRR 0.39
57 FHQPRWPRK 0.39
58 MHKPRWPRK 0.39
59 MHRPRPFRK 0.4
60 MHRPRPPRR 0.4
61 FHRPRWMRW 0.4
62 FHKPRLFRK 0.41
63 FRKPRWFRK 0.41
64 FHKPRLPRR 0.41
65 FRKPRWPRR 0.41
66 FHKPRWFRR 0.42
67 FRRPRPFRR 0.42
68 FHKPRPMRK 0.42
69 MHRPRWPRW 0.42
70 FRRPRLPRW 0.42
71 FHQPRPPRK 0.43
72 FRRPRWFRW 0.43
73 FHRPRLFRW 0.43
74 MHKPRPPRK 0.43
75 FHRPRPMRW 0.44
76 MHRPRWMRK 0.45
77 MHRPRPPRW 0.45
78 FRRPRLMRK 0.45
79 FRKPRPPRR 0.45
80 FRKPRPFRK 0.45
81 FHKPRPFRR 0.46
82 FHRPRLMRR 0.46
83 MRRPRLPRK 0.46
84 FHKPRLPRW 0.46
85 FRKPRWPRW 0.46
86 FRRPRWMRR 0.46
87 FRRPRPFRW 0.47
88 FHKPRWFRW 0.48
89 MHRPRPMRK 0.48
90 MHRPRLFRK 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRRPRWPRR

3.81

-14.61

-10.8
2 FHRPRPPRR

2.12

-12.7

-10.58
3 FHRPRPPRW

2.12

-12.56

-10.44
4 MHRPRPPRK

2.74

-13.13

-10.39
5 MHRPRWPRK

3.18

-12.74

-9.56
6 FHKPRLPRK

2.88

-12.12

-9.24
7 FRRPRLPRK

4.0

-12.42

-8.42
8 FHKPRWPRR

2.92

-11.04

-8.12
9 FHRPRLPRR

2.37

-10.43

-8.06
10 FHRPRPPRK

2.18

-10.22

-8.04
11 FHRPRWMRK

2.94

-10.89

-7.95
12 FHRPRWFRR

3.3

-11.23

-7.93
13 FHKPRWPRK

2.92

-10.78

-7.86
14 FHRPRLPRK

2.12

-9.94

-7.82
15 FHKPRPPRK

2.61

-10.27

-7.66
16 FHRPRLFRK

3.17

-10.7

-7.53
17 FRRPRWPRK

3.81

-11.32

-7.51
18 FRKPRWPRK

4.7

-12.04

-7.34
19 FRRPRPFRK

4.14

-11.26

-7.12
20 FHRPRPFRR

3.19

-10.22

-7.03
21 FRRPRPPRK

3.28

-10.31

-7.03
22 FRRPRWFRK

4.1

-10.97

-6.87
23 FHRPRWPRW

3.06

-9.85

-6.79
24 FHRPRWPRR

3.7

-10.41

-6.71
25 FRRPRPPRR

3.71

-10.32

-6.61
26 FHRPRWPRK

4.35

-10.77

-6.42
27 FHRPRPFRK

3.11

-9.43

-6.32
28 FHKPRWFRK

3.51

-9.82

-6.31
29 FHRPRWFRK

3.43

-9.33

-5.9
30 FHRPRPMRK

3.01

-7.9

-4.89

 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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