Predicted ligand sequences


ADAN-name: 1OEB2.PDB (view again the scoring matrix)

PDB name: [1OEB.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A P S I D R S T K P P L
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala A A
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    

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Intraclash 0.868 ΔGbinding -20.020
TOTAL
 -19.152
Backbone Hb -1.220 Cis_bond 0.000
Sidechain Hb -6.020 Torsional clash 0.030
Van der Waals -12.020 Backbone clash 1.300
Electrostatics -4.410 Helix dipole 0.000
Solvation Polar 13.320 Water bridges -0.750
Solvation Hyd -16.350 Disulfide 0.000
VdW clashes 0.470 Electrost. Kon -2.180
Entropy sc 7.050 Part.cov.bonds 0.000
Entropy mc

2.050

 ΔGstability

-2.040
       

Predicted ligand sequences for template [1OEB2.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).
 
  1OEB2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRHRHMRMRL 0.0
2 RPTRHRHMRMRL 0.0
3 RPARHRHMRMRL 0.02
4 RPTRHRRMRMRL 0.02
5 RPRRHRRMRMRL 0.02
6 RPARHRRMRMRL 0.04
7 RPRRHRAMRMRL 0.04
8 RPTRHRAMRMRL 0.04
9 RPARHRAMRMRL 0.06
10 RPTRHRHMRRRL 0.1
11 RPRRHRHMRRRL 0.1
12 RPRRHRHMRMHL 0.12
13 RPRRHRRMRRRL 0.12
14 RPTRHRRMRRRL 0.12
15 RPARHRHMRRRL 0.12
16 RPTRHRHMRMHL 0.12
17 RPARHRRMRRRL 0.14
18 RPRRHRAMRRRL 0.14
19 RPARHRHMRMHL 0.14
20 RPRRHRRMRMHL 0.14
21 RPTRHRAMRRRL 0.14
22 RPTRHRRMRMHL 0.14
23 RPARHRRMRMHL 0.16
24 RPRRRRHMRMRL 0.16
25 RPRRHRAMRMHL 0.16
26 RPARHRAMRRRL 0.16
27 RPTRHRAMRMHL 0.16
28 RPTRRRHMRMRL 0.16
29 YPTRHRHMRMRL 0.17
30 YPRRHRHMRMRL 0.17
31 RPTRRRRMRMRL 0.18
32 RPARHRAMRMHL 0.18
33 RPRRRRRMRMRL 0.18
34 RPARRRHMRMRL 0.18
35 YPARHRHMRMRL 0.19
36 YPTRHRRMRMRL 0.19
37 YPRRHRRMRMRL 0.19
38 RPARRRRMRMRL 0.2
39 RPRRRRAMRMRL 0.2
40 RPTRRRAMRMRL 0.2
41 RPTRHRHTRMRL 0.21
42 YPTRHRAMRMRL 0.21
43 YPARHRRMRMRL 0.21
44 RPRRHRHTRMRL 0.21
45 YPRRHRAMRMRL 0.21
46 RPTRHRHMRRHL 0.22
47 RPRRHRHMRRHL 0.22
48 RPARRRAMRMRL 0.22
49 RPARHRHTRMRL 0.23
50 RPTRHRRTRMRL 0.23
51 RPRRHRRTRMRL 0.23
52 YPARHRAMRMRL 0.23
53 RPARHRHMRRHL 0.24
54 RPRRHRRMRRHL 0.24
55 RPTRHRRMRRHL 0.24
56 RPARHRRTRMRL 0.25
57 RPRRHRATRMRL 0.25
58 RPTRHRATRMRL 0.25
59 RPRRHRAMRRHL 0.26
60 RPTRRRHMRRRL 0.26
61 RPTRHRAMRRHL 0.26
62 RPRRRRHMRRRL 0.26
63 RPARHRRMRRHL 0.26
64 RPARHRATRMRL 0.27
65 YPTRHRHMRRRL 0.27
66 RPRRPRHMRMRL 0.27
67 YPRRHRHMRRRL 0.27
68 RPTRPRHMRMRL 0.27
69 RPARRRHMRRRL 0.28
70 RPTRRRRMRRRL 0.28
71 RPTRRRHMRMHL 0.28
72 RPARHRAMRRHL 0.28
73 RPRRRRRMRRRL 0.28
74 RPRRRRHMRMHL 0.28
75 RPRRPRRMRMRL 0.29
76 YPRRHRRMRRRL 0.29
77 YPARHRHMRRRL 0.29
78 RPTRPRRMRMRL 0.29
79 RPARPRHMRMRL 0.29
80 YPTRHRRMRRRL 0.29
81 YPRRHRHMRMHL 0.29
82 YPTRHRHMRMHL 0.29
83 RPTRRRRMRMHL 0.3
84 RPARRRHMRMHL 0.3
85 RPARRRRMRRRL 0.3
86 RPTRRRAMRRRL 0.3
87 RPRRRRRMRMHL 0.3
88 RPRRRRAMRRRL 0.3
89 YPARHRRMRRRL 0.31
90 RPRRHRHCRMRL 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPTRHRHMRRRL

1.66

-25.56

-23.9
2 RPRRHRHMRRRL

2.45

-24.78

-22.33
3 RPTRHRRMRRRL

3.35

-25.31

-21.96
4 RPTRHRAMRRRL

2.21

-22.71

-20.5
5 RPRRHRRMRRRL

2.53

-22.47

-19.94
6 RPRRHRHMRMHL

2.03

-21.73

-19.7
7 RPTRHRAMRMRL

1.91

-21.6

-19.69
8 RPARHRHMRMRL

2.74

-22.19

-19.45
9 RPTRHRHMRMRL

3.11

-22.32

-19.21
10 RPRRHRHMRMRL

1.63

-20.65

-19.02
11 RPARHRAMRRRL

2.67

-21.52

-18.85
12 RPARHRHMRMHL

2.42

-21.25

-18.83
13 RPRRHRAMRRRL

1.99

-20.68

-18.69
14 RPARHRRMRRRL

2.06

-20.43

-18.37
15 RPRRHRRMRMRL

1.94

-19.93

-17.99
16 RPTRRRHMRMRL

3.48

-21.43

-17.95
17 RPRRHRRMRMHL

3.12

-20.98

-17.86
18 RPTRHRRMRMRL

2.11

-19.89

-17.78
19 RPARHRHMRRRL

2.14

-19.9

-17.76
20 YPRRHRHMRMRL

2.12

-19.86

-17.74
21 RPARHRRMRMHL

2.23

-19.89

-17.66
22 RPRRRRHMRMRL

2.12

-19.43

-17.31
23 RPRRHRAMRMRL

1.86

-18.85

-16.99
24 RPTRHRHMRMHL

2.39

-19.22

-16.83
25 RPARHRAMRMRL

1.93

-18.49

-16.56
26 RPTRHRRMRMHL

2.35

-18.64

-16.29
27 RPRRHRAMRMHL

1.79

-17.94

-16.15
28 RPARHRRMRMRL

5.11

-21.0

-15.89
29 RPTRHRAMRMHL

2.49

-17.87

-15.38
30 YPTRHRHMRMRL

2.48

-17.59

-15.11

 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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