Predicted ligand sequences


ADAN-name: 2PDZ2.PDB (view again the scoring matrix)

PDB name: [2PDZ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K E S L V
position 1 2 3 4 5
poly-Ala
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 12.907 ΔGbinding -2.960
TOTAL
 9.947
Backbone Hb -5.210 Cis_bond 0.000
Sidechain Hb -1.960 Torsional clash 0.870
Van der Waals -8.050 Backbone clash 1.050
Electrostatics -0.750 Helix dipole 0.160
Solvation Polar 13.180 Water bridges -0.720
Solvation Hyd -10.650 Disulfide 0.000
VdW clashes 1.050 Electrost. Kon -0.920
Entropy sc 4.490 Part.cov.bonds 0.000
Entropy mc

5.560

 ΔGstability

108.650
       

Predicted ligand sequences for template [2PDZ2.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).
 
  2PDZ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PMGMI 0.0
2 PMGFI 0.0
3 PMEFI 0.04
4 PMEMI 0.04
5 PMPMI 0.17
6 PMPFI 0.17
7 PMGMV 0.19
8 PMGFV 0.19
9 PMEFV 0.23
10 PMEMV 0.23
11 PMAMI 0.27
12 PMAFI 0.27
13 PLGMI 0.33
14 PLGFI 0.33
15 PMGYI 0.35
16 PMPMV 0.36
17 PMPFV 0.36
18 PLEMI 0.37
19 PLEFI 0.37
20 PMEYI 0.38
21 PMGLI 0.39
22 YMGFI 0.41
23 YMGMI 0.41
24 PMELI 0.43
25 YMEFI 0.45
26 YMEMI 0.45
27 PMAMV 0.46
28 PMAFV 0.46
29 PLPMI 0.5
30 PLPFI 0.5
31 PLGMV 0.52
32 PMPYI 0.52
33 PLGFV 0.52
34 PMGYV 0.53
35 PLEMV 0.56
36 PMPLI 0.56
37 PLEFV 0.56
38 PMEYV 0.57
39 PMGLV 0.58
40 YMPFI 0.58
41 YMPMI 0.59
42 YMGMV 0.6
43 PLAFI 0.6
44 PLAMI 0.6
45 YMGFV 0.6
46 PMAYI 0.61
47 PMELV 0.61
48 YMEFV 0.64
49 YMEMV 0.64
50 PMALI 0.66
51 YMAMI 0.68
52 PLGYI 0.68
53 YMAFI 0.68
54 PLPMV 0.69
55 PLPFV 0.69
56 PMPYV 0.71
57 PLEYI 0.72
58 PLGLI 0.72
59 YLGFI 0.74
60 YLGMI 0.74
61 PMPLV 0.75
62 PLELI 0.76
63 YMGYI 0.76
64 YMPFV 0.77
65 YMPMV 0.77
66 YLEFI 0.78
67 YLEMI 0.78
68 PLAFV 0.79
69 PLAMV 0.79
70 YMGLI 0.8
71 YMEYI 0.8
72 PMAYV 0.8
73 YMELI 0.84
74 PMALV 0.84
75 PLPYI 0.85
76 PLGYV 0.86
77 YMAMV 0.87
78 YMAFV 0.87
79 PLPLI 0.89
80 PLEYV 0.9
81 PLGLV 0.91
82 YLPFI 0.92
83 YLPMI 0.92
84 YLGFV 0.93
85 YMPYI 0.93
86 YLGMV 0.93
87 PLELV 0.95
88 PLAYI 0.95
89 YMGYV 0.95
90 YLEFV 0.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PLGFI

6.57

-4.76

1.81
2 PLPFI

8.89

-6.21

2.68
3 PMPFV

8.52

-5.69

2.83
4 PMPFI

9.64

-6.36

3.28
5 PMEMI

9.57

-6.2

3.37
6 PMAFI

9.59

-6.02

3.57
7 PMGMV

8.79

-5.15

3.64
8 PMGFI

9.32

-5.57

3.75
9 PMGYI

8.79

-5.0

3.79
10 PLEMI

9.5

-5.58

3.92
11 PMEFI

10.04

-5.97

4.07
12 PMPMI

9.83

-5.62

4.21
13 PMPMV

9.99

-5.57

4.42
14 PMEYI

10.37

-5.85

4.52
15 PLEFI

9.66

-4.79

4.87
16 PMEFV

10.95

-5.94

5.01
17 PMGFV

9.95

-4.88

5.07
18 YMGFI

9.85

-4.74

5.11
19 PMGLI

10.28

-4.93

5.35
20 PMAFV

10.83

-5.41

5.42
21 PMGMI

10.35

-4.32

6.03
22 PMELI

11.13

-5.0

6.13
23 PLGMI

10.23

-4.1

6.13
24 PLPMI

10.14

-3.99

6.15
25 YMEFI

11.64

-5.39

6.25
26 PMAMV

11.53

-4.99

6.54
27 PMEMV

11.97

-5.23

6.74
28 YMGMI

11.04

-3.4

7.64
29 PMAMI

12.63

-4.5

8.13
30 YMEMI

12.72

-4.2

8.52

 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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