Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-26.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    

(Help)

Intraclash 7.441 ΔGbinding -1.015
TOTAL
 6.426
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.897
Van der Waals -3.494 Backbone clash 0.036
Electrostatics 0.454 Helix dipole 0.000
Solvation Polar 3.754 Water bridges 0.041
Solvation Hyd -4.712 Disulfide 0.000
VdW clashes 0.153 Electrost. Kon 0.591
Entropy sc 0.475 Part.cov.bonds 0.000
Entropy mc

2.101

 ΔGstability

31.121
       

Predicted ligand sequences for model [HSE1_1SEM-26.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_1SEM-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 EDRPKRRPH 0.0
2 EDRPRRRPH 0.03
3 ERRPKRRPH 0.04
4 EDRPKRRRH 0.05
5 ERRPRRRPH 0.07
6 EDRPRRRRH 0.08
7 ERRPKRRRH 0.08
8 SDRPKRRPH 0.09
9 KDRPKRRPH 0.11
10 SDRPRRRPH 0.12
11 ERRPRRRRH 0.12
12 SRRPKRRPH 0.12
13 SDRPKRRRH 0.13
14 KDRPRRRPH 0.15
15 KRRPKRRPH 0.15
16 EDRPHRRPH 0.16
17 SRRPRRRPH 0.16
18 KDRPKRRRH 0.16
19 EDRPKRPPH 0.17
20 SDRPRRRRH 0.17
21 SRRPKRRRH 0.17
22 KRRPRRRPH 0.18
23 ERRPHRRPH 0.2
24 SRRPRRRRH 0.2
25 KDRPRRRRH 0.2
26 KRRPKRRRH 0.2
27 ERRPKRPPH 0.21
28 EDRPHRRRH 0.21
29 EDRPRRPPH 0.21
30 EDRPKRPRH 0.22
31 KRRPRRRRH 0.23
32 EDRPKRRPR 0.24
33 EERPKRRPH 0.24
34 ERRPHRRRH 0.24
35 ERRPRRPPH 0.24
36 SDRPHRRPH 0.25
37 SDRPKRPPH 0.26
38 ERRPKRPRH 0.26
39 EDRPRRPRH 0.26
40 ERRPKRRPR 0.28
41 EERPRRRPH 0.28
42 EDRPRRRPR 0.28
43 KDRPHRRPH 0.28
44 SRRPHRRPH 0.28
45 EDRPKRRRR 0.29
46 EERPKRRRH 0.29
47 SDRPHRRRH 0.29
48 EDRPKRRHH 0.29
49 ERRPRRPRH 0.29
50 KDRPKRPPH 0.29
51 SRRPKRPPH 0.3
52 SDRPRRPPH 0.3
53 SDRPKRPRH 0.31
54 ERRPRRRPR 0.31
55 KRRPHRRPH 0.31
56 KDRPRRPPH 0.32
57 EDRPRRRRR 0.32
58 KDRPHRRRH 0.32
59 KRRPKRPPH 0.32
60 EDRPRRRHH 0.32
61 ERRPKRRRR 0.32
62 EERPRRRRH 0.32
63 SRRPHRRRH 0.33
64 EDRKKRRPH 0.33
65 ERRPKRRHH 0.33
66 SERPKRRPH 0.33
67 SRRPRRPPH 0.33
68 SDRPKRRPR 0.33
69 KDRPKRPRH 0.34
70 SDRPRRPRH 0.34
71 EDRPHRPPH 0.34
72 SRRPKRPRH 0.34
73 KDRPKRRPR 0.35
74 SDRPRRRPR 0.36
75 SERPRRRPH 0.36
76 KRRPRRPPH 0.36
77 EDRKRRRPH 0.36
78 ERRPRRRRR 0.36
79 KERPKRRPH 0.36
80 KRRPHRRRH 0.36
81 ERRPRRRHH 0.36
82 SRRPKRRPR 0.36
83 ERRKKRRPH 0.37
84 ERRPHRPPH 0.37
85 KRRPKRPRH 0.37
86 KDRPRRPRH 0.37
87 EDRPHRPRH 0.38
88 SERPKRRRH 0.38
89 SDRPKRRHH 0.38
90 EDRKKRRRH 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EDRPKRRRH

3.05

-13.32

-10.27
2 SDRPKRRRH

2.6

-12.5

-9.9
3 ERRPKRRPH

3.07

-12.81

-9.74
4 EDRPHRRRH

3.22

-12.34

-9.12
5 KRRPRRRPH

2.73

-11.75

-9.02
6 ERRPRRRPH

2.77

-11.65

-8.88
7 SDRPRRRPH

2.64

-11.49

-8.85
8 KDRPKRRRH

2.76

-11.47

-8.71
9 SRRPRRRPH

2.91

-11.47

-8.56
10 EDRPRRRPH

2.74

-11.21

-8.47
11 KRRPKRRPH

2.77

-10.83

-8.06
12 SRRPRRRRH

3.29

-11.32

-8.03
13 EDRPKRRPH

2.84

-10.73

-7.89
14 EDRPKRPPH

3.75

-11.63

-7.88
15 KDRPRRRPH

2.74

-10.61

-7.87
16 ERRPKRRRH

3.04

-10.83

-7.79
17 SRRPKRRPH

2.7

-10.43

-7.73
18 EDRPHRRPH

3.07

-10.77

-7.7
19 KDRPKRRPH

4.42

-12.1

-7.68
20 ERRPKRPPH

3.16

-10.76

-7.6
21 SDRPKRRPH

3.04

-10.62

-7.58
22 EDRPRRPPH

3.55

-10.97

-7.42
23 KRRPKRRRH

3.28

-10.54

-7.26
24 ERRPHRRPH

3.72

-10.69

-6.97
25 EDRPKRPRH

3.06

-9.94

-6.88
26 SRRPKRRRH

4.17

-10.86

-6.69
27 SDRPRRRRH

3.25

-9.59

-6.34
28 EDRPRRRRH

2.51

-8.59

-6.08
29 KDRPRRRRH

3.4

-9.34

-5.94
30 ERRPRRRRH

3.64

-9.54

-5.9

 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