Predicted ligand
sequences


ADAN-name: 1P132.PDB (view again the scoring matrix)

PDB name: [1P13.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT C D y A N F K
position 1 2 3 4 5 6 7
poly-Ala 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 3.530 ΔGbinding -7.770
TOTAL
-4.240
Backbone Hb -1.700 Cis_bond 0.000
Sidechain Hb -5.580 Torsional clash 0.090
Van der Waals -8.910 Backbone clash 0.810
Electrostatics -4.150 Helix dipole -0.240
Solvation Polar 15.840 Water bridges -0.890
Solvation Hyd -9.380 Disulfide 0.000
VdW clashes 0.220 Electrost. Kon -2.440
Entropy sc 5.380 Part.cov.bonds 0.000
Entropy mc

3.990

ΔGstability

19.220

       

Predicted ligand sequences for template [1P132.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).

 
  1P132.PDB  

(data)

# Predicted Sequences Value Calculate
1 pGyyDFE 0.0
2 DGyyDFE 0.0
3 DGyysFE 0.05
4 pGyysFE 0.06
5 pGyDDFE 0.17
6 DGyDDFE 0.17
7 EGyyDFE 0.21
8 DGyDsFE 0.22
9 sGyyDFE 0.22
10 pGyDsFE 0.23
11 EGyysFE 0.26
12 sGyysFE 0.27
13 DEyyDFE 0.28
14 pEyyDFE 0.29
15 DsyyDFE 0.31
16 psyyDFE 0.31
17 DEyysFE 0.34
18 pEyysFE 0.34
19 DsyysFE 0.36
20 psyysFE 0.37
21 EGyDDFE 0.38
22 sGyDDFE 0.39
23 DyyyDFE 0.39
24 pyyyDFE 0.4
25 EGyDsFE 0.43
26 sGyDsFE 0.44
27 DEyDDFE 0.45
28 pyyysFE 0.45
29 DyyysFE 0.45
30 pEyDDFE 0.46
31 psyDDFE 0.48
32 pGyypFE 0.48
33 DGyypFE 0.48
34 DsyDDFE 0.48
35 EEyyDFE 0.49
36 sEyyDFE 0.5
37 DEyDsFE 0.51
38 pEyDsFE 0.51
39 EsyyDFE 0.52
40 DsyDsFE 0.53
41 ssyyDFE 0.53
42 psyDsFE 0.54
43 EEyysFE 0.55
44 DyyDDFE 0.56
45 sEyysFE 0.56
46 pyyDDFE 0.57
47 EsyysFE 0.57
48 ssyysFE 0.58
49 EyyyDFE 0.6
50 syyyDFE 0.61
51 DyyDsFE 0.62
52 pyyDsFE 0.62
53 EyyysFE 0.65
54 pGyDpFE 0.65
55 DGyDpFE 0.65
56 EEyDDFE 0.66
57 syyysFE 0.67
58 sEyDDFE 0.67
59 EGyypFE 0.68
60 EsyDDFE 0.69
61 sGyypFE 0.69
62 ssyDDFE 0.7
63 EEyDsFE 0.71
64 sEyDsFE 0.73
65 EsyDsFE 0.74
66 ssyDsFE 0.75
67 DEyypFE 0.76
68 pEyypFE 0.76
69 EyyDDFE 0.77
70 syyDDFE 0.78
71 DsyypFE 0.78
72 psyypFE 0.79
73 EyyDsFE 0.82
74 syyDsFE 0.83
75 EGyDpFE 0.85
76 sGyDpFE 0.86
77 pyyypFE 0.87
78 DyyypFE 0.87
79 DEyDpFE 0.93
80 pEyDpFE 0.93
81 DsyDpFE 0.95
82 psyDpFE 0.96
83 EEyypFE 0.97
84 sEyypFE 0.98
85 EsyypFE 0.99
86 ssyypFE 1.0
87 DyyDpFE 1.04
88 pyyDpFE 1.04
89 EyyypFE 1.08
90 syyypFE 1.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

 

(Help)

# Precalculated Models Intraclash ΔGbinding Total
1 DGyDsFE

2.54

-14.47

-11.93

2 sGyDsFE

2.64

-14.22

-11.58

3 EGyDsFE

2.88

-13.76

-10.88

4 EGyysFE

3.22

-14.08

-10.86

5 DsyysFE

4.17

-14.99

-10.82

6 psyyDFE

4.88

-15.68

-10.8

7 pGyyDFE

5.0

-15.22

-10.22

8 pyyyDFE

4.89

-15.07

-10.18

9 pEyDDFE

4.89

-14.98

-10.09

10 DEyDDFE

3.48

-13.44

-9.96

11 pGyDsFE

4.17

-13.86

-9.69

12 pGyysFE

4.75

-14.23

-9.48

13 psyysFE

4.77

-13.64

-8.87

14 DGyDDFE

3.12

-11.69

-8.57

15 DEyysFE

3.68

-12.24

-8.56

16 pGyDDFE

3.79

-12.25

-8.46

17 DyyyDFE

4.47

-12.84

-8.37

18 DyyysFE

4.37

-12.59

-8.22

19 sGyDDFE

2.92

-10.96

-8.04

20 pyyysFE

4.21

-12.01

-7.8

21 EGyDDFE

2.43

-9.77

-7.34

22 sGyysFE

3.35

-10.67

-7.32

23 pEyyDFE

4.64

-11.47

-6.83

24 DsyyDFE

3.38

-9.88

-6.5

25 pEyysFE

4.79

-11.23

-6.44

26 EGyyDFE

3.2

-9.62

-6.42

27 DGyyDFE

2.76

-9.11

-6.35

28 DEyyDFE

2.96

-8.58

-5.62

29 sGyyDFE

2.99

-7.92

-4.93

30 DGyysFE

3.37

-7.44

-4.07

 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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