Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-21.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
 G
G
 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 2.791 ΔGbinding -0.885
TOTAL
 1.906
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.114
Van der Waals -1.623 Backbone clash 0.065
Electrostatics 0.148 Helix dipole 0.000
Solvation Polar 1.758 Water bridges -0.003
Solvation Hyd -2.393 Disulfide 0.000
VdW clashes 0.258 Electrost. Kon 0.133
Entropy sc 0.303 Part.cov.bonds 0.000
Entropy mc

1.695

 ΔGstability

48.857
       

Predicted ligand sequences for model [HSE1_1OEB-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EQRIGRPTWH 0.0
2 EQRIGRPTRH 0.02
3 EQRIGRPTKH 0.16
4 EQRIGRPTFH 0.23
5 RQRIGRPTWH 0.24
6 EQRIHRPTWH 0.26
7 RQRIGRPTRH 0.26
8 EQRIHRPTRH 0.27
9 EQRIGRTTWH 0.35
10 EQRIGRTTRH 0.37
11 EQRIRRPTWH 0.39
12 KQRIGRPTWH 0.4
13 EQRIRRPTRH 0.41
14 RQRIGRPTKH 0.41
15 HQRIGRPTWH 0.41
16 EQRIKRPTWH 0.42
17 KQRIGRPTRH 0.42
18 EQRIHRPTKH 0.42
19 HQRIGRPTRH 0.43
20 EQRIKRPTRH 0.43
21 EQRIGRQTWH 0.46
22 EQRIGRETWH 0.46
23 RQRIGRPTFH 0.47
24 EQRIGRQTRH 0.48
25 EQRIGRETRH 0.48
26 EQRIHRPTFH 0.49
27 RQRIHRPTWH 0.5
28 RQRIHRPTRH 0.52
29 EQRIGRTTKH 0.52
30 EQRIRRPTKH 0.55
31 KQRIGRPTKH 0.56
32 EQRIGRTTFH 0.58
33 EQRIKRPTKH 0.58
34 HQRIGRPTKH 0.58
35 RQRIGRTTWH 0.6
36 RQRIGRTTRH 0.61
37 EQRIHRTTWH 0.61
38 EQRIGRETKH 0.62
39 EQRIRRPTFH 0.62
40 EQRIGRQTKH 0.62
41 RQRIRRPTWH 0.63
42 KQRIGRPTFH 0.63
43 EQRIHRTTRH 0.63
44 HQRIGRPTFH 0.64
45 RQRIRRPTRH 0.65
46 EQRIKRPTFH 0.65
47 RQRIKRPTWH 0.66
48 KQRIHRPTWH 0.66
49 RQRIHRPTKH 0.66
50 KQRIHRPTRH 0.67
51 HQRIHRPTWH 0.67
52 RQRIKRPTRH 0.68
53 HQRIHRPTRH 0.69
54 EQRIGRQTFH 0.69
55 EQRIGRETFH 0.69
56 RQRIGRQTWH 0.7
57 RQRIGRETWH 0.71
58 RQRIGRQTRH 0.72
59 EQRIHRETWH 0.72
60 EQRIHRQTWH 0.72
61 RQRIGRETRH 0.72
62 EQRIHRQTRH 0.73
63 RQRIHRPTFH 0.73
64 EQRIHRETRH 0.74
65 EQRIRRTTWH 0.74
66 KQRIGRTTWH 0.75
67 EQRIRRTTRH 0.76
68 RQRIGRTTKH 0.76
69 EQRIHRTTKH 0.77
70 HQRIGRTTWH 0.77
71 KQRIGRTTRH 0.77
72 EQRIKRTTWH 0.77
73 HQRIGRTTRH 0.78
74 RQRIRRPTKH 0.79
75 EQRIKRTTRH 0.79
76 KQRIRRPTWH 0.79
77 HQRIRRPTWH 0.8
78 KQRIRRPTRH 0.8
79 KQRIKRPTWH 0.82
80 KQRIHRPTKH 0.82
81 RQRIKRPTKH 0.82
82 HQRIRRPTRH 0.82
83 HQRIKRPTWH 0.83
84 KQRIKRPTRH 0.83
85 RQRIGRTTFH 0.83
86 HQRIHRPTKH 0.83
87 EQRIHRTTFH 0.84
88 EQRIRRQTWH 0.85
89 HQRIKRPTRH 0.85
90 RQRIHRTTWH 0.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RQRIGRPTKH

3.39

-10.28

-6.89
2 RQRIGRPTFH

3.44

-10.24

-6.8
3 RQRIGRPTRH

4.63

-11.43

-6.8
4 KQRIGRPTRH

3.66

-10.43

-6.77
5 EQRIGRPTKH

3.73

-10.09

-6.36
6 HQRIGRPTRH

3.87

-10.06

-6.19
7 HQRIGRPTWH

4.36

-10.46

-6.1
8 EQRIGRPTFH

4.44

-10.47

-6.03
9 EQRIGRQTRH

3.8

-9.7

-5.9
10 EQRIGRPTRH

3.7

-9.55

-5.85
11 EQRIGRETRH

4.23

-9.86

-5.63
12 EQRIKRPTRH

4.67

-10.13

-5.46
13 EQRIGRQTWH

3.82

-9.28

-5.46
14 EQRIGRTTRH

3.52

-8.96

-5.44
15 KQRIGRPTWH

3.38

-8.75

-5.37
16 EQRIGRTTKH

3.64

-8.8

-5.16
17 EQRIHRPTWH

4.42

-9.5

-5.08
18 RQRIGRPTWH

5.06

-10.07

-5.01
19 EQRIHRPTFH

4.29

-9.29

-5.0
20 EQRIGRETWH

3.23

-8.22

-4.99
21 RQRIHRPTWH

4.18

-9.11

-4.93
22 EQRIGRTTWH

3.27

-7.86

-4.59
23 EQRIRRPTKH

5.68

-10.23

-4.55
24 EQRIGRPTWH

3.39

-7.79

-4.4
25 EQRIHRPTKH

4.32

-8.71

-4.39
26 EQRIRRPTRH

5.61

-10.0

-4.39
27 RQRIHRPTRH

5.66

-10.0

-4.34
28 EQRIKRPTWH

4.41

-8.61

-4.2
29 EQRIHRPTRH

4.36

-8.05

-3.69
30 EQRIRRPTWH

5.55

-9.23

-3.68

 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