Predicted ligand sequences


ADAN-name: 1BBZ2.PDB (view again the scoring matrix)

PDB name: [1BBZ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A P S Y S P P P P P
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 2.302 ΔGbinding -13.410
TOTAL
 -11.108
Backbone Hb -0.870 Cis_bond 0.000
Sidechain Hb -2.510 Torsional clash 0.030
Van der Waals -8.700 Backbone clash 0.370
Electrostatics -0.360 Helix dipole 0.000
Solvation Polar 7.080 Water bridges -0.290
Solvation Hyd -12.400 Disulfide 0.000
VdW clashes 0.340 Electrost. Kon -0.130
Entropy sc 2.690 Part.cov.bonds 0.000
Entropy mc

1.710

 ΔGstability

-3.200
       

Predicted ligand sequences for template [1BBZ2.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).
 
  1BBZ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PPRYGPMGMP 0.0
2 PPRYGPMPMP 0.01
3 PPRYGPMGEP 0.01
4 PPRYGPMPEP 0.02
5 PPRYGPMFMP 0.04
6 PPRYGPMFEP 0.05
7 PPKYGPMGMP 0.06
8 PPKYGPMPMP 0.07
9 PPKYGPMGEP 0.07
10 PPKYGPMPEP 0.08
11 PPRYVPMGMP 0.09
12 PPHYGPMGMP 0.09
13 PPHYGPMPMP 0.1
14 PPRYVPMPMP 0.1
15 PPKYGPMFMP 0.1
16 PPRYGHMGMP 0.1
17 PPRYVPMGEP 0.1
18 PPHYGPMGEP 0.1
19 PPRYGHMPMP 0.11
20 PPKYGPMFEP 0.11
21 PPRYVPMPEP 0.11
22 PPRYGHMGEP 0.11
23 PPHYGPMPEP 0.11
24 PMRYGPMGMP 0.12
25 PPRYGPMGEH 0.12
26 PPRYGHMPEP 0.12
27 PPRYGPMGMH 0.12
28 PPRYVPMFMP 0.13
29 PMRYGPMGEP 0.13
30 PMRYGPMPMP 0.13
31 PPRYKPMGMP 0.13
32 PPRYGPMPMH 0.13
33 PPRYGPMPEH 0.13
34 PPHYGPMFMP 0.13
35 PPRYVPMFEP 0.14
36 PMRYGPMPEP 0.14
37 PPRYKPMPMP 0.14
38 PPRYKPMGEP 0.14
39 PPHYGPMFEP 0.14
40 PPRYGHMFMP 0.14
41 PPKYVPMGMP 0.15
42 PPRYGHMFEP 0.15
43 PPRYGPMFMH 0.15
44 PPRYKPMPEP 0.15
45 PPKYVPMPMP 0.16
46 PPKYVPMGEP 0.16
47 PPKYGHMGMP 0.16
48 PPRYGPMFEH 0.16
49 PMRYGPMFEP 0.16
50 PMRYGPMFMP 0.16
51 PPKYGPMGMH 0.17
52 PPKYGHMGEP 0.17
53 PPKYGHMPMP 0.17
54 PPKYVPMPEP 0.17
55 PPRYKPMFMP 0.17
56 PPHYVPMGMP 0.18
57 PMKYGPMGMP 0.18
58 PPKYGHMPEP 0.18
59 APRYGPMGMP 0.18
60 PPRYKPMFEP 0.18
61 PPKYGPMGEH 0.18
62 PMKYGPMGEP 0.19
63 PPHYVPMPMP 0.19
64 APRYGPMPMP 0.19
65 PPKYKPMGMP 0.19
66 APRYGPMGEP 0.19
67 PPKYGPMPMH 0.19
68 PPKYVPMFMP 0.19
69 PPKYGPMPEH 0.19
70 PPHYGHMGMP 0.19
71 PPHYVPMGEP 0.19
72 PMKYGPMPMP 0.19
73 PPHYGHMGEP 0.2
74 PPHYVPMPEP 0.2
75 PPRYVHMGMP 0.2
76 APRYGPMPEP 0.2
77 PPHYGHMPMP 0.2
78 PPKYKPMGEP 0.2
79 PPKYKPMPMP 0.2
80 PPKYGHMFMP 0.2
81 PPKYVPMFEP 0.2
82 PMKYGPMPEP 0.2
83 PMRYVPMGMP 0.21
84 PPRYVHMPMP 0.21
85 PMHYGPMGMP 0.21
86 PPRYVHMGEP 0.21
87 PPKYGPMFMH 0.21
88 PPKYKPMPEP 0.21
89 PPKYGHMFEP 0.21
90 PPHYGHMPEP 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PPRYGPMPEP

2.47

-15.02

-12.55
2 PPKYGPMFMP

2.43

-14.97

-12.54
3 PPRYGHMGMP

3.95

-16.23

-12.28
4 PPRYVPMGEP

2.55

-14.78

-12.23
5 PPHYGPMGMP

2.34

-14.57

-12.23
6 PPRYVPMGMP

2.55

-14.74

-12.19
7 PPRYGPMGMP

2.48

-14.66

-12.18
8 PPRYGPMPMP

2.51

-14.62

-12.11
9 PPKYGPMGMP

2.35

-14.33

-11.98
10 PPHYGPMPMP

2.39

-14.34

-11.95
11 PPRYGHMPMP

3.91

-15.8

-11.89
12 PPRYGPMGEP

2.46

-14.31

-11.85
13 PPRYVPMPMP

2.57

-14.4

-11.83
14 PPRYGPMFMP

3.01

-14.83

-11.82
15 PPKYGPMPMP

2.33

-13.98

-11.65
16 PPRYVPMPEP

2.6

-14.22

-11.62
17 PPRYVPMFMP

2.61

-14.19

-11.58
18 PPKYGPMFEP

2.44

-14.01

-11.57
19 PPKYGPMPEP

2.83

-14.39

-11.56
20 PPKYGPMGEP

2.94

-14.49

-11.55
21 PPHYGPMGEP

2.42

-13.71

-11.29
22 PPRYGHMGEP

2.56

-13.83

-11.27
23 PPHYGPMPEP

2.46

-13.69

-11.23
24 PPRYGHMPEP

3.88

-15.03

-11.15
25 PPRYGPMGEH

2.68

-13.77

-11.09
26 PPRYGPMGMH

2.91

-13.78

-10.87
27 PPRYGPMFEP

2.51

-13.26

-10.75
28 PMRYGPMGMP

2.46

-11.61

-9.15
29 PMRYGPMPMP

3.15

-11.82

-8.67
30 PMRYGPMGEP

2.34

-10.77

-8.43

 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