Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-9.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
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 2.472 ΔGbinding -2.368
TOTAL
 0.104
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.550
Van der Waals -3.909 Backbone clash 0.000
Electrostatics 0.191 Helix dipole 0.000
Solvation Polar 4.392 Water bridges -0.217
Solvation Hyd -5.080 Disulfide 0.000
VdW clashes 0.039 Electrost. Kon 0.211
Entropy sc 0.763 Part.cov.bonds 0.000
Entropy mc

3.241

 ΔGstability

40.164
       

Predicted ligand sequences for model [HSE1_1OEB-9.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).
 
  HSE1_1OEB-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPWRNFRF 0.0
2 YPWRPFRF 0.02
3 YPWRNPRF 0.04
4 YPWRPPRF 0.07
5 YPFRNFRF 0.08
6 YPWRNLRF 0.09
7 YPPRNFRF 0.1
8 YPFRPFRF 0.1
9 YPWRPLRF 0.11
10 YPFRNPRF 0.12
11 YPPRPFRF 0.12
12 YPFRPPRF 0.14
13 YPPRNPRF 0.14
14 YPWRHFRF 0.16
15 YPPRPPRF 0.17
16 YPFRNLRF 0.17
17 KPWRNFRF 0.17
18 YPPRNLRF 0.19
19 KPWRPFRF 0.19
20 YPFRPLRF 0.19
21 YPWRHPRF 0.2
22 KPWRNPRF 0.21
23 YPPRPLRF 0.21
24 YPFRHFRF 0.23
25 KPWRPPRF 0.23
26 KPFRNFRF 0.24
27 YPWRHLRF 0.25
28 KPWRNLRF 0.26
29 YPPRHFRF 0.26
30 KPFRPFRF 0.27
31 KPPRNFRF 0.27
32 KPWRPLRF 0.28
33 KPFRNPRF 0.28
34 YPFRHPRF 0.28
35 KPPRPFRF 0.29
36 YPPRHPRF 0.3
37 YRWRNFRF 0.3
38 KPFRPPRF 0.31
39 KPPRNPRF 0.31
40 YPFRHLRF 0.32
41 KPWRHFRF 0.32
42 YRWRPFRF 0.32
43 KPPRPPRF 0.33
44 KPFRNLRF 0.33
45 YRWRNPRF 0.34
46 YPPRHLRF 0.35
47 KPWRHPRF 0.36
48 KPFRPLRF 0.36
49 KPPRNLRF 0.36
50 YRWRPPRF 0.37
51 KPPRPLRF 0.38
52 YRFRNFRF 0.38
53 YRWRNLRF 0.39
54 YRPRNFRF 0.4
55 KPFRHFRF 0.4
56 YRFRPFRF 0.4
57 KPWRHLRF 0.41
58 YRWRPLRF 0.41
59 YPWRNFWF 0.42
60 KPPRHFRF 0.42
61 YRFRNPRF 0.42
62 YRPRPFRF 0.43
63 YRPRNPRF 0.44
64 YRFRPPRF 0.44
65 KPFRHPRF 0.44
66 YPWRPFWF 0.45
67 YPWRNPWF 0.46
68 YRWRHFRF 0.46
69 KRWRNFRF 0.46
70 KPPRHPRF 0.47
71 YRPRPPRF 0.47
72 YRFRNLRF 0.47
73 YRPRNLRF 0.49
74 KRWRPFRF 0.49
75 KPFRHLRF 0.49
76 YPWRPPWF 0.49
77 YRFRPLRF 0.49
78 YRWRHPRF 0.5
79 YPFRNFWF 0.5
80 KPPRHLRF 0.51
81 YPWRNLWF 0.51
82 KRWRNPRF 0.51
83 YPFRPFWF 0.52
84 YRPRPLRF 0.52
85 YPPRNFWF 0.52
86 KRWRPPRF 0.53
87 YRFRHFRF 0.53
88 YPFRNPWF 0.54
89 YPWRPLWF 0.54
90 KRFRNFRF 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPWRNFRF

3.35

-13.89

-10.54
2 YPPRNPRF

3.89

-13.62

-9.73
3 YPPRNLRF

3.42

-12.87

-9.45
4 YPWRNLRF

3.61

-12.98

-9.37
5 YPFRPPRF

4.61

-13.5

-8.89
6 YPFRNFRF

3.09

-11.97

-8.88
7 YPWRHLRF

3.65

-12.14

-8.49
8 YPPRPPRF

4.68

-13.02

-8.34
9 KPFRNFRF

3.01

-11.3

-8.29
10 YPPRPLRF

5.11

-13.35

-8.24
11 YPPRNFRF

3.01

-11.24

-8.23
12 YPFRNLRF

3.36

-11.47

-8.11
13 YPPRPFRF

4.41

-12.45

-8.04
14 YPPRHFRF

3.07

-11.04

-7.97
15 KPWRNPRF

3.54

-11.37

-7.83
16 YPFRNPRF

3.15

-10.92

-7.77
17 KPWRPFRF

4.77

-12.46

-7.69
18 YPFRHFRF

2.91

-10.52

-7.61
19 YPFRPFRF

4.73

-12.31

-7.58
20 YPWRHPRF

3.28

-10.63

-7.35
21 KPWRNFRF

3.27

-10.58

-7.31
22 YPWRPFRF

5.73

-12.94

-7.21
23 KPWRNLRF

3.21

-10.29

-7.08
24 YPFRPLRF

5.0

-11.96

-6.96
25 KPFRPFRF

4.83

-11.72

-6.89
26 YPWRPPRF

4.76

-11.44

-6.68
27 YPWRPLRF

4.74

-10.83

-6.09
28 YPWRHFRF

2.92

-8.98

-6.06
29 KPWRPPRF

4.9

-9.95

-5.05
30 YPWRNPRF

5.24

-7.88

-2.64

 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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