Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-5.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 9.357 ΔGbinding 2.320
TOTAL
 11.677
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 3.590
Van der Waals -5.540 Backbone clash 0.113
Electrostatics -0.274 Helix dipole 0.000
Solvation Polar 5.683 Water bridges -0.041
Solvation Hyd -8.304 Disulfide 0.000
VdW clashes 6.159 Electrost. Kon -0.333
Entropy sc 1.121 Part.cov.bonds 0.000
Entropy mc

3.308

 ΔGstability

56.177
       

Predicted ligand sequences for model [HSE1_1OEB-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRRRRPRPHW 0.0
2 MRRRRPWPHW 0.04
3 MRRRRPRDHW 0.14
4 MRRRRPRPHF 0.15
5 MRHRRPRPHW 0.17
6 MRRRRPWDHW 0.18
7 MRRRRPWPHF 0.19
8 MRRRRPREHW 0.19
9 MRHRRPWPHW 0.21
10 MRRRRPWEHW 0.23
11 MRRRRPRDHF 0.3
12 MRHRRPRDHW 0.32
13 MRRRRPWDHF 0.33
14 MRFRRPRPHW 0.33
15 MRHRRPRPHF 0.33
16 MRHRRPWDHW 0.35
17 MRRRRPREHF 0.35
18 MRHRRPWPHF 0.36
19 MRFRRPWPHW 0.37
20 MRHRRPREHW 0.37
21 MRRRRPWEHF 0.38
22 MRRRTPRPHW 0.38
23 MRHRRPWEHW 0.4
24 MRRRTPWPHW 0.41
25 MRRRHPRPHW 0.41
26 MRRRHPWPHW 0.45
27 MRHRRPRDHF 0.47
28 MRFRRPRDHW 0.48
29 MRFRRPRPHF 0.48
30 MRHRRPWDHF 0.51
31 MRFRRPWDHW 0.51
32 MRRRTPRDHW 0.52
33 MRHRRPREHF 0.52
34 MRFRRPWPHF 0.52
35 MRFRRPREHW 0.53
36 MRRRTPRPHF 0.53
37 MRHRTPRPHW 0.55
38 MRRRHPRDHW 0.56
39 MRHRRPWEHF 0.56
40 MRFRRPWEHW 0.56
41 MRRRTPWPHF 0.56
42 MRRRTPWDHW 0.56
43 MRRRTPREHW 0.57
44 MRRRHPRPHF 0.57
45 MRHRHPRPHW 0.59
46 MRHRTPWPHW 0.59
47 MRRRHPWDHW 0.6
48 MRRRHPWPHF 0.6
49 MRRRHPREHW 0.61
50 MRRRTPWEHW 0.61
51 MRHRHPWPHW 0.62
52 MRFRRPRDHF 0.63
53 MRRRHPWEHW 0.65
54 MRRRTPRDHF 0.67
55 MRFRRPWDHF 0.67
56 MRFRRPREHF 0.68
57 MRHRTPRPHF 0.7
58 MRHRTPRDHW 0.7
59 MRRRHPRDHF 0.71
60 MRFRRPWEHF 0.71
61 MRRRTPWDHF 0.71
62 MRFRTPRPHW 0.71
63 MRRRTPREHF 0.72
64 MRHRHPRDHW 0.73
65 MRHRTPWDHW 0.73
66 MRFRTPWPHW 0.74
67 MRHRHPRPHF 0.74
68 MRHRTPREHW 0.74
69 MRHRTPWPHF 0.74
70 MRFRHPRPHW 0.75
71 MRRRHPWDHF 0.75
72 MRRRHPREHF 0.76
73 MRRRTPWEHF 0.76
74 MRHRHPWDHW 0.77
75 MRFRHPWPHW 0.78
76 MRHRHPREHW 0.78
77 MRHRHPWPHF 0.78
78 MRHRTPWEHW 0.78
79 MRRRHPWEHF 0.8
80 MRHRHPWEHW 0.82
81 MRFRTPRDHW 0.85
82 MRHRTPRDHF 0.85
83 MRFRTPRPHF 0.86
84 MRHRTPWDHF 0.88
85 MRHRHPRDHF 0.89
86 MRFRTPWDHW 0.89
87 MRFRHPRDHW 0.89
88 MRFRTPWPHF 0.9
89 MRFRHPRPHF 0.9
90 MRFRTPREHW 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MRHRRPRDHF

4.21

-15.06

-10.85
2 MRRRRPRDHF

4.03

-14.58

-10.55
3 MRHRRPRPHF

4.32

-13.99

-9.67
4 MRRRRPWEHF

5.01

-13.34

-8.33
5 MRRRRPWEHW

4.43

-11.97

-7.54
6 MRRRRPREHF

4.34

-11.76

-7.42
7 MRRRRPWDHF

4.29

-11.65

-7.36
8 MRRRRPWPHF

4.52

-11.78

-7.26
9 MRFRRPRPHF

4.59

-11.79

-7.2
10 MRRRRPRPHF

4.84

-11.82

-6.98
11 MRRRRPRPHW

5.02

-11.85

-6.83
12 MRHRRPWDHF

4.33

-11.06

-6.73
13 MRHRRPWEHW

5.58

-12.22

-6.64
14 MRHRRPWPHW

4.73

-11.07

-6.34
15 MRRRTPRPHW

4.16

-10.44

-6.28
16 MRHRRPREHW

4.25

-10.4

-6.15
17 MRFRRPRPHW

4.52

-10.66

-6.14
18 MRHRRPRPHW

5.1

-11.1

-6.0
19 MRHRRPWDHW

4.44

-10.4

-5.96
20 MRHRRPWPHF

4.22

-10.16

-5.94
21 MRRRHPRPHW

4.18

-10.07

-5.89
22 MRRRRPWPHW

4.82

-10.58

-5.76
23 MRRRTPWPHW

4.55

-10.2

-5.65
24 MRRRRPWDHW

4.39

-9.93

-5.54
25 MRRRHPWPHW

4.38

-9.76

-5.38
26 MRFRRPWPHW

4.83

-10.13

-5.3
27 MRRRRPRDHW

4.44

-9.23

-4.79
28 MRHRRPRDHW

4.86

-9.43

-4.57
29 MRFRRPRDHW

4.56

-7.98

-3.42
30 MRRRRPREHW

4.79

-8.21

-3.42

 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