Predicted ligand sequences


ADAN-name: 1ZUB2.PDB (view again the scoring matrix)

PDB name: [1ZUB.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E E G I W A
position 1 2 3 4 5 6
poly-Ala
A
 A
G
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 13.944 ΔGbinding 0.920
TOTAL
 14.864
Backbone Hb -5.750 Cis_bond 0.000
Sidechain Hb -1.400 Torsional clash 1.240
Van der Waals -10.470 Backbone clash 8.940
Electrostatics -1.310 Helix dipole -0.150
Solvation Polar 15.740 Water bridges -0.710
Solvation Hyd -14.630 Disulfide 0.000
VdW clashes 6.660 Electrost. Kon -1.200
Entropy sc 6.450 Part.cov.bonds 0.000
Entropy mc

6.450

 ΔGstability

84.520
       

Predicted ligand sequences for template [1ZUB2.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).
 
  1ZUB2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MHGMEG 0.0
2 MDGMEG 0.04
3 LHGMEG 0.07
4 LDGMEG 0.11
5 MHGIEG 0.12
6 MDGIEG 0.16
7 LHGIEG 0.19
8 LDGIEG 0.23
9 MHGMEA 0.28
10 MDGMEA 0.32
11 EHGMEG 0.32
12 LHGMEA 0.35
13 EDGMEG 0.36
14 PHGMEG 0.37
15 NHGMEG 0.38
16 LDGMEA 0.39
17 MHGIEA 0.4
18 PDGMEG 0.41
19 NDGMEG 0.42
20 MDGIEA 0.44
21 EHGIEG 0.44
22 LHGIEA 0.47
23 EDGIEG 0.48
24 PHGIEG 0.49
25 NHGIEG 0.5
26 LDGIEA 0.51
27 MHGMPG 0.52
28 PDGIEG 0.53
29 NDGIEG 0.54
30 MDGMPG 0.57
31 LHGMPG 0.59
32 EHGMEA 0.6
33 LDGMPG 0.63
34 MHGIPG 0.64
35 EDGMEA 0.64
36 PHGMEA 0.65
37 NHGMEA 0.66
38 MDGIPG 0.68
39 MYGMEG 0.68
40 PDGMEA 0.69
41 NDGMEA 0.7
42 LHGIPG 0.71
43 EHGIEA 0.72
44 LYGMEG 0.74
45 LDGIPG 0.75
46 EDGIEA 0.76
47 PHGIEA 0.77
48 NHGIEA 0.78
49 MYGIEG 0.8
50 MHGMPA 0.8
51 PDGIEA 0.81
52 NDGIEA 0.82
53 EHGMPG 0.84
54 MDGMPA 0.85
55 LYGIEG 0.86
56 LHGMPA 0.87
57 PHGMPG 0.89
58 EDGMPG 0.89
59 NHGMPG 0.9
60 LDGMPA 0.91
61 MHGIPA 0.92
62 PDGMPG 0.94
63 NDGMPG 0.95
64 EHGIPG 0.96
65 MDGIPA 0.96
66 MYGMEA 0.96
67 LHGIPA 0.99
68 EDGIPG 1.0
69 EYGMEG 1.0
70 PHGIPG 1.01
71 NHGIPG 1.02
72 LYGMEA 1.02
73 LDGIPA 1.03
74 PDGIPG 1.05
75 PYGMEG 1.05
76 NYGMEG 1.06
77 NDGIPG 1.06
78 MYGIEA 1.08
79 EYGIEG 1.12
80 EHGMPA 1.12
81 LYGIEA 1.14
82 PHGMPA 1.17
83 EDGMPA 1.17
84 PYGIEG 1.17
85 NYGIEG 1.18
86 NHGMPA 1.18
87 MYGMPG 1.2
88 PDGMPA 1.22
89 NDGMPA 1.23
90 EHGIPA 1.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MDGMPG

10.08

-4.49

5.59
2 MDGMEG

10.35

-4.74

5.61
3 LDGMEG

9.78

-4.05

5.73
4 LDGIEG

10.26

-3.36

6.9
5 NHGMEG

9.86

-2.55

7.31
6 PDGMEG

10.64

-3.29

7.35
7 EDGIEG

10.45

-2.83

7.62
8 PDGIEG

10.39

-2.39

8.0
9 MHGMEA

10.41

-2.33

8.08
10 MHGMPG

11.29

-3.18

8.11
11 MDGMEA

12.87

-4.6

8.27
12 LHGMEA

10.91

-2.4

8.51
13 MHGIEA

10.14

-1.62

8.52
14 LHGIEG

10.69

-2.13

8.56
15 NDGMEG

13.03

-3.83

9.2
16 LDGMEA

12.36

-3.0

9.36
17 MHGIEG

11.85

-2.17

9.68
18 MDGIEG

12.8

-2.96

9.84
19 LDGIEA

12.52

-2.65

9.87
20 EDGMEG

12.91

-2.96

9.95
21 LHGMEG

12.02

-1.92

10.1
22 MDGIEA

13.23

-3.03

10.2
23 EHGMEG

12.62

-2.19

10.43
24 MHGMEG

13.19

-2.64

10.55
25 NDGIEG

13.28

-2.61

10.67
26 PHGIEG

12.42

-1.6

10.82
27 PHGMEG

13.74

-2.83

10.91
28 NHGIEG

12.66

-1.54

11.12
29 EHGIEG

12.66

-1.39

11.27
30 LHGIEA

13.53

-2.07

11.46

 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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