Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-14.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 5.493 ΔGbinding -3.063
TOTAL
 2.430
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.575
Van der Waals -4.396 Backbone clash 0.131
Electrostatics 0.333 Helix dipole 0.000
Solvation Polar 5.245 Water bridges -0.055
Solvation Hyd -6.155 Disulfide 0.000
VdW clashes 0.173 Electrost. Kon 0.390
Entropy sc 0.864 Part.cov.bonds 0.000
Entropy mc

3.788

 ΔGstability

42.674
       

Predicted ligand sequences for model [HSE1_1OEB-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPRKRKRR 0.0
2 RWFRKRKRR 0.01
3 RWPRKRWRR 0.04
4 RWFRKRWRR 0.05
5 RWPRKRFRR 0.05
6 RWFRKRIRR 0.06
7 RWFRKRFRR 0.06
8 RWPRKRIRR 0.06
9 RWYRKRKRR 0.08
10 RWMRKRKRR 0.1
11 RWYRKRWRR 0.12
12 RWYRKRFRR 0.13
13 RWYRKRIRR 0.14
14 RWMRKRWRR 0.14
15 RWMRKRFRR 0.15
16 RWPRKRKNR 0.15
17 RWMRKRIRR 0.15
18 RWFRKRKNR 0.16
19 RWPRKRWNR 0.19
20 RWPRKRFNR 0.2
21 RWPRKRKKR 0.2
22 RWFRKRWNR 0.2
23 RWPRKRINR 0.21
24 RWFRKRINR 0.21
25 RWFRKRKKR 0.21
26 RWFRKRFNR 0.21
27 RWYRKRKNR 0.23
28 RWPRKRWKR 0.24
29 RWFRKRWKR 0.25
30 RWMRKRKNR 0.25
31 RWPRKRFKR 0.26
32 RWFRKRFKR 0.26
33 RWPRKRIKR 0.26
34 RWFRKRIKR 0.27
35 RWYRKRWNR 0.27
36 RWYRKRFNR 0.28
37 RWMRKRWNR 0.29
38 RWYRKRINR 0.29
39 RWYRKRKKR 0.29
40 RWMRKRFNR 0.3
41 RWPRKRKQR 0.3
42 RWMRKRINR 0.3
43 RWMRKRKKR 0.3
44 RWFRKRKQR 0.31
45 RWYRKRWKR 0.33
46 RWPRKRWQR 0.34
47 RWYRKRIKR 0.34
48 RWYRKRFKR 0.34
49 RWMRKRWKR 0.34
50 RWPRKRFQR 0.35
51 RWFRKRWQR 0.35
52 RWMRKRFKR 0.35
53 RWFRKRFQR 0.36
54 RWFRKRIQR 0.36
55 RWMRKRIKR 0.36
56 RWPRKRIQR 0.36
57 RWYRKRKQR 0.38
58 RWMRKRKQR 0.4
59 RPPRKRKRR 0.4
60 RPFRKRKRR 0.41
61 RWYRKRWQR 0.42
62 RWYRKRFQR 0.43
63 RWMRKRWQR 0.44
64 RWYRKRIQR 0.44
65 RWMRKRIQR 0.45
66 RPFRKRWRR 0.45
67 RPPRKRWRR 0.45
68 RWMRKRFQR 0.45
69 RPPRKRFRR 0.46
70 RPPRKRIRR 0.46
71 RPFRKRFRR 0.46
72 RPFRKRIRR 0.47
73 REPRKRKRR 0.49
74 RPYRKRKRR 0.49
75 REFRKRKRR 0.49
76 RPMRKRKRR 0.5
77 RPYRKRWRR 0.53
78 REPRKRWRR 0.53
79 REPRKRIRR 0.54
80 RPYRKRIRR 0.54
81 REFRKRWRR 0.54
82 RPYRKRFRR 0.54
83 REPRKRFRR 0.54
84 RPMRKRWRR 0.54
85 RPMRKRFRR 0.55
86 REFRKRIRR 0.55
87 REFRKRFRR 0.55
88 RPMRKRIRR 0.56
89 RPPRKRKNR 0.56
90 RPFRKRKNR 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWMRKRKNR

2.94

-15.07

-12.13
2 RWPRKRWKR

3.3

-14.3

-11.0
3 RWYRKRIRR

2.89

-13.54

-10.65
4 RWYRKRKRR

3.21

-13.81

-10.6
5 RWFRKRKKR

3.18

-13.6

-10.42
6 RWPRKRKRR

3.09

-13.27

-10.18
7 RWFRKRIRR

3.24

-13.33

-10.09
8 RWFRKRKNR

4.43

-14.48

-10.05
9 RWFRKRFRR

4.04

-13.79

-9.75
10 RWFRKRKRR

3.09

-12.74

-9.65
11 RWPRKRIRR

3.16

-12.69

-9.53
12 RWFRKRWRR

6.24

-15.76

-9.52
13 RWYRKRKNR

3.4

-12.7

-9.3
14 RWPRKRKKR

4.6

-13.81

-9.21
15 RWMRKRWRR

5.09

-14.15

-9.06
16 RWPRKRINR

3.28

-12.2

-8.92
17 RWYRKRFRR

6.04

-14.82

-8.78
18 RWPRKRFRR

5.38

-14.1

-8.72
19 RWPRKRWRR

5.17

-13.77

-8.6
20 RWFRKRWKR

3.58

-12.17

-8.59
21 RWPRKRKNR

5.58

-14.11

-8.53
22 RWFRKRINR

5.86

-13.8

-7.94
23 RWMRKRIRR

4.94

-12.78

-7.84
24 RWMRKRKRR

4.84

-12.42

-7.58
25 RWFRKRFNR

5.3

-12.7

-7.4
26 RWPRKRFNR

5.56

-12.89

-7.33
27 RWFRKRWNR

4.96

-11.77

-6.81
28 RWYRKRWRR

6.51

-12.93

-6.42
29 RWMRKRFRR

7.48

-13.87

-6.39
30 RWPRKRWNR

6.19

-12.04

-5.85

 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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