Predicted ligand sequences


ADAN-name: 2C0I2.PDB (view again the scoring matrix)

PDB name: [2C0I.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A T E S Q y E E I P
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
A
A
A
y
 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 3.003 ΔGbinding -13.450
TOTAL
 -10.447
Backbone Hb -3.970 Cis_bond 0.000
Sidechain Hb -10.100 Torsional clash 0.150
Van der Waals -9.810 Backbone clash 0.820
Electrostatics -5.600 Helix dipole -0.230
Solvation Polar 18.910 Water bridges -0.620
Solvation Hyd -10.230 Disulfide 0.000
VdW clashes 0.210 Electrost. Kon -2.600
Entropy sc 7.130 Part.cov.bonds 0.000
Entropy mc

3.290

 ΔGstability

25.750
       

Predicted ligand sequences for template [2C0I2.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).
 
  2C0I2.PDB  

(data)
# Predicted Sequences Value Calculate
1 syDDsyIsMG 0.0
2 pyDDsyIsMG 0.02
3 PyDDsyIsMG 0.02
4 sysDsyIsMG 0.04
5 syDEsyIsMG 0.05
6 PysDsyIsMG 0.06
7 sypDsyIsMG 0.06
8 pysDsyIsMG 0.06
9 syDssyIsMG 0.07
10 pyDEsyIsMG 0.07
11 PyDEsyIsMG 0.07
12 pypDsyIsMG 0.08
13 syDDsyIEMG 0.08
14 PypDsyIsMG 0.08
15 PyDssyIsMG 0.09
16 sysEsyIsMG 0.09
17 pyDssyIsMG 0.09
18 PyDDsyIEMG 0.1
19 pyDDsyIEMG 0.1
20 sypEsyIsMG 0.11
21 pysEsyIsMG 0.11
22 sysssyIsMG 0.11
23 PysEsyIsMG 0.11
24 sysDsyIEMG 0.12
25 syDEsyIEMG 0.13
26 PysssyIsMG 0.13
27 pypEsyIsMG 0.13
28 pysssyIsMG 0.13
29 PypEsyIsMG 0.13
30 sypssyIsMG 0.13
31 PysDsyIEMG 0.14
32 pysDsyIEMG 0.14
33 sypDsyIEMG 0.14
34 PypssyIsMG 0.15
35 pypssyIsMG 0.15
36 syDssyIEMG 0.15
37 PyDEsyIEMG 0.15
38 pyDEsyIEMG 0.15
39 pypDsyIEMG 0.16
40 syDDsyIsKG 0.16
41 PypDsyIEMG 0.16
42 PyDDsyIsKG 0.17
43 PyDssyIEMG 0.17
44 pyDDsyIsKG 0.17
45 sysEsyIEMG 0.17
46 pyDssyIEMG 0.17
47 syDDsyIDMG 0.18
48 pysEsyIEMG 0.19
49 PysEsyIEMG 0.19
50 sypEsyIEMG 0.19
51 sysssyIEMG 0.19
52 pyDDsyIDMG 0.2
53 sysDsyIsKG 0.2
54 PyDDsyIDMG 0.2
55 syDDsyVsMG 0.21
56 PysssyIEMG 0.21
57 pysssyIEMG 0.21
58 pypEsyIEMG 0.21
59 PypEsyIEMG 0.21
60 sypssyIEMG 0.21
61 syDEsyIsKG 0.21
62 syDDsyLsMG 0.22
63 sysDsyIDMG 0.22
64 PysDsyIsKG 0.22
65 sypDsyIsKG 0.22
66 pysDsyIsKG 0.22
67 pyDDsyVsMG 0.23
68 pypssyIEMG 0.23
69 pyDEsyIsKG 0.23
70 pypDsyIsKG 0.23
71 syDDsyIEKG 0.23
72 PypDsyIsKG 0.23
73 PyDDsyVsMG 0.23
74 syDssyIsKG 0.23
75 PypssyIEMG 0.23
76 syDEsyIDMG 0.23
77 PyDEsyIsKG 0.23
78 sypDsyIDMG 0.24
79 pysDsyIDMG 0.24
80 PysDsyIDMG 0.24
81 PyDDsyLsMG 0.24
82 pyDDsyLsMG 0.24
83 PyDEsyIDMG 0.25
84 pyDEsyIDMG 0.25
85 sysDsyVsMG 0.25
86 pyDssyIsKG 0.25
87 sysEsyIsKG 0.25
88 syDssyIDMG 0.25
89 PyDssyIsKG 0.25
90 syDEsyVsMG 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PypDsyIsMG

3.0

-19.09

-16.09
2 syDEsyIsMG

3.4

-18.84

-15.44
3 PyDDsyIsMG

3.33

-18.69

-15.36
4 PyDDsyIEMG

2.93

-18.29

-15.36
5 sypEsyIsMG

3.68

-18.62

-14.94
6 syDDsyIsMG

3.68

-18.62

-14.94
7 syDssyIsMG

3.51

-18.26

-14.75
8 sysDsyIEMG

3.51

-18.09

-14.58
9 PypEsyIsMG

3.06

-17.62

-14.56
10 pyDDsyIEMG

3.3

-17.8

-14.5
11 pyDssyIsMG

3.98

-18.43

-14.45
12 pysDsyIsMG

3.54

-17.97

-14.43
13 PysssyIsMG

3.19

-17.58

-14.39
14 sysssyIsMG

3.57

-17.86

-14.29
15 sypssyIsMG

3.74

-17.97

-14.23
16 pypEsyIsMG

3.4

-17.31

-13.91
17 sysDsyIsMG

3.49

-17.39

-13.9
18 pyDDsyIsMG

3.59

-17.42

-13.83
19 pyDEsyIsMG

3.4

-17.21

-13.81
20 PyDEsyIsMG

3.58

-17.3

-13.72
21 pypDsyIsMG

3.82

-17.5

-13.68
22 pysssyIsMG

4.18

-17.7

-13.52
23 PysEsyIsMG

3.09

-16.58

-13.49
24 pysEsyIsMG

3.18

-16.63

-13.45
25 sypDsyIsMG

3.25

-16.68

-13.43
26 syDEsyIEMG

3.63

-16.99

-13.36
27 syDDsyIEMG

3.13

-16.03

-12.9
28 PysDsyIsMG

3.89

-16.66

-12.77
29 PyDssyIsMG

3.34

-8.16

-4.82
30 sysEsyIsMG

2.65

-7.2

-4.55

 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