Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-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    

(Help)

Intraclash 5.761 ΔGbinding -1.947
TOTAL
 3.814
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.571
Van der Waals -4.657 Backbone clash 0.095
Electrostatics 0.404 Helix dipole 0.000
Solvation Polar 4.736 Water bridges 0.023
Solvation Hyd -6.798 Disulfide 0.000
VdW clashes 0.706 Electrost. Kon 0.396
Entropy sc 0.676 Part.cov.bonds 0.000
Entropy mc

3.272

 ΔGstability

46.044
       

Predicted ligand sequences for model [HSE1_1OEB-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).
 
  HSE1_1OEB-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPRIHRRPKR 0.0
2 FPRIHRRKKR 0.0
3 YPRIHRRPKR 0.01
4 YPRIHRRKKR 0.02
5 FPRIHRHPKR 0.05
6 FPRIHPRKKR 0.05
7 FPRIHPRPKR 0.05
8 YPRIHPRPKR 0.06
9 FPRIHRHKKR 0.06
10 YPRIHPRKKR 0.06
11 YPRIHRHKKR 0.07
12 YPRIHRHPKR 0.07
13 FPRIHKRKKR 0.09
14 FPRIHKRPKR 0.09
15 FPRIHPHPKR 0.1
16 YPRIHKRPKR 0.1
17 FPRIHPHKKR 0.1
18 YPRIHPHPKR 0.11
19 YPRIHKRKKR 0.11
20 MPRIHRRPKR 0.12
21 YPRIHPHKKR 0.12
22 MPRIHRRKKR 0.13
23 FPRIHRRRKR 0.14
24 FPRIHKHPKR 0.14
25 FPPIHRRPKR 0.14
26 FPPIHRRKKR 0.14
27 FPRIHKHKKR 0.15
28 YPRIHRRRKR 0.15
29 YPPIHRRKKR 0.15
30 YPPIHRRPKR 0.15
31 FPHIHRRPKR 0.16
32 YPRIHKHPKR 0.16
33 YPRIHKHKKR 0.16
34 FPHIHRRKKR 0.17
35 MPRIHPRPKR 0.17
36 MPRIHPRKKR 0.17
37 MPRIHRHKKR 0.18
38 YPHIHRRPKR 0.18
39 YPHIHRRKKR 0.18
40 FPPIHPRKKR 0.18
41 MPRIHRHPKR 0.18
42 FPPIHPRPKR 0.18
43 FPRIHRHRKR 0.19
44 FPPIHRHPKR 0.19
45 FPPIHRHKKR 0.19
46 FPRIHPRRKR 0.19
47 YPPIHRHPKR 0.2
48 YPRIHPRRKR 0.2
49 YPPIHPRKKR 0.2
50 YPPIHPRPKR 0.2
51 FPHIHPRPKR 0.21
52 MPRIHKRPKR 0.21
53 FPHIHPRKKR 0.21
54 YPRIHRHRKR 0.21
55 YPPIHRHKKR 0.21
56 MPRIHPHPKR 0.22
57 FPPIHKRPKR 0.22
58 FPHIHRHPKR 0.22
59 YPHIHPRPKR 0.22
60 FPHIHRHKKR 0.22
61 MPRIHKRKKR 0.22
62 FPPIHPHPKR 0.23
63 YPHIHRHKKR 0.23
64 YPHIHRHPKR 0.23
65 FPPIHKRKKR 0.23
66 MPRIHPHKKR 0.23
67 YPHIHPRKKR 0.23
68 FPRIHKRRKR 0.23
69 FPPIHPHKKR 0.24
70 YPPIHKRKKR 0.24
71 FPRIHPHRKR 0.24
72 YPRIHKRRKR 0.24
73 YPPIHKRPKR 0.24
74 YPPIHPHPKR 0.25
75 FPHIHKRPKR 0.25
76 YPRIHPHRKR 0.25
77 YPPIHPHKKR 0.25
78 FPHIHPHPKR 0.26
79 MPPIHRRKKR 0.26
80 FPHIHKRKKR 0.26
81 MPPIHRRPKR 0.26
82 YPHIHKRPKR 0.27
83 YPHIHKRKKR 0.27
84 MPRIHRRRKR 0.27
85 MPRIHKHKKR 0.27
86 FPHIHPHKKR 0.27
87 MPRIHKHPKR 0.27
88 YPHIHPHKKR 0.28
89 YPHIHPHPKR 0.28
90 FPPIHRRRKR 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPRIHRRPKR

5.5

-15.79

-10.29
2 YPRIHRRKKR

5.06

-14.76

-9.7
3 FPRIHPRPKR

4.83

-14.42

-9.59
4 FPRIHPRKKR

4.09

-13.37

-9.28
5 YPRIHPRPKR

4.52

-13.73

-9.21
6 YPRIHPRKKR

4.04

-13.23

-9.19
7 FPRIHRRRKR

4.65

-13.79

-9.14
8 FPPIHRRKKR

5.78

-14.86

-9.08
9 MPRIHRRKKR

4.86

-13.91

-9.05
10 FPRIHKRKKR

4.59

-13.5

-8.91
11 FPRIHRRKKR

4.47

-13.37

-8.9
12 YPRIHKRPKR

4.86

-13.62

-8.76
13 YPRIHRRPKR

5.03

-13.58

-8.55
14 FPPIHRRPKR

5.15

-13.67

-8.52
15 YPRIHKRKKR

5.69

-14.15

-8.46
16 YPPIHRRPKR

4.95

-13.25

-8.3
17 FPRIHKRPKR

4.7

-12.61

-7.91
18 YPPIHRRKKR

5.49

-13.29

-7.8
19 FPRIHKHPKR

4.8

-12.33

-7.53
20 YPRIHRRRKR

5.48

-12.94

-7.46
21 FPRIHRHKKR

4.64

-12.03

-7.39
22 FPRIHKHKKR

5.32

-12.46

-7.14
23 YPRIHPHKKR

4.12

-11.24

-7.12
24 MPRIHRRPKR

5.5

-12.39

-6.89
25 YPRIHPHPKR

4.42

-11.08

-6.66
26 YPRIHRHPKR

5.12

-11.64

-6.52
27 FPRIHRHPKR

4.96

-11.22

-6.26
28 YPRIHRHKKR

4.37

-10.35

-5.98
29 FPRIHPHKKR

4.69

-10.57

-5.88
30 FPRIHPHPKR

4.92

-10.67

-5.75

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER