Predicted ligand sequences


ADAN-name: 1TZE2.PDB (view again the scoring matrix)

PDB name: [1TZE.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K P F y V N V
position 1 2 3 4 5 6 7
poly-Ala
A
 A A
y
 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 2.027 ΔGbinding -16.030
TOTAL
 -14.003
Backbone Hb -4.100 Cis_bond 0.000
Sidechain Hb -7.290 Torsional clash 0.150
Van der Waals -9.630 Backbone clash 1.250
Electrostatics -5.540 Helix dipole 0.000
Solvation Polar 15.670 Water bridges -1.160
Solvation Hyd -10.440 Disulfide 0.000
VdW clashes 0.120 Electrost. Kon -1.920
Entropy sc 3.970 Part.cov.bonds 0.000
Entropy mc

4.150

 ΔGstability

3.000
       

Predicted ligand sequences for template [1TZE2.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).
 
  1TZE2.PDB  

(data)
# Predicted Sequences Value Calculate
1 syDyyNM 0.0
2 syEyyNM 0.03
3 sMDyyNM 0.05
4 sysyyNM 0.06
5 sMEyyNM 0.08
6 syDyMNM 0.1
7 syDyyNL 0.1
8 yyDyyNM 0.1
9 syEyyNL 0.12
10 sMsyyNM 0.12
11 syEyMNM 0.12
12 yyEyyNM 0.12
13 PyDyyNM 0.13
14 yMDyyNM 0.15
15 PyEyyNM 0.15
16 sMDyMNM 0.15
17 sMDyyNL 0.15
18 sysyMNM 0.16
19 yysyyNM 0.16
20 sysyyNL 0.16
21 yMEyyNM 0.18
22 PMDyyNM 0.18
23 sMEyyNL 0.18
24 sMEyMNM 0.18
25 syDyMNL 0.19
26 yyDyMNM 0.19
27 PysyyNM 0.19
28 yyDyyNL 0.19
29 sDDyyNM 0.2
30 sMsyMNM 0.21
31 sMsyyNL 0.21
32 yMsyyNM 0.21
33 PMEyyNM 0.21
34 PyDyMNM 0.22
35 yyEyMNM 0.22
36 syEyMNL 0.22
37 PyDyyNL 0.22
38 yyEyyNL 0.22
39 sDEyyNM 0.23
40 PMsyyNM 0.24
41 yMDyyNL 0.25
42 yMDyMNM 0.25
43 PyEyMNM 0.25
44 PyEyyNL 0.25
45 sMDyMNL 0.25
46 sysyMNL 0.26
47 yysyMNM 0.26
48 yysyyNL 0.26
49 sDsyyNM 0.26
50 sMEyMNL 0.27
51 yMEyMNM 0.27
52 yMEyyNL 0.28
53 PysyMNM 0.28
54 PMDyyNL 0.28
55 PMDyMNM 0.28
56 yyDyMNL 0.29
57 PysyyNL 0.29
58 PMEyMNM 0.3
59 sDDyyNL 0.3
60 sDDyMNM 0.3
61 yDDyyNM 0.3
62 PMEyyNL 0.3
63 sMsyMNL 0.31
64 yMsyMNM 0.31
65 yMsyyNL 0.31
66 sDEyMNM 0.32
67 yDEyyNM 0.32
68 PyDyMNL 0.32
69 sDEyyNL 0.32
70 yyEyMNL 0.32
71 PDDyyNM 0.33
72 PMsyyNL 0.34
73 PMsyMNM 0.34
74 yMDyMNL 0.34
75 yysyMNL 0.35
76 PyEyMNL 0.35
77 PDEyyNM 0.35
78 sDsyMNM 0.36
79 yDsyyNM 0.36
80 sDsyyNL 0.36
81 PMDyMNL 0.37
82 yMEyMNL 0.37
83 PysyMNL 0.38
84 yDDyMNM 0.39
85 sDDyMNL 0.39
86 PDsyyNM 0.39
87 yDDyyNL 0.39
88 PMEyMNL 0.4
89 yMsyMNL 0.41
90 sDEyMNL 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sMEyyNL

2.45

-22.88

-20.43
2 sDDyyNM

1.52

-20.73

-19.21
3 sysyyNL

3.05

-22.07

-19.02
4 syEyyNL

3.83

-22.38

-18.55
5 sMDyMNM

2.21

-20.48

-18.27
6 sysyyNM

3.08

-21.27

-18.19
7 syDyyNM

3.83

-21.46

-17.63
8 syDyMNL

1.7

-18.94

-17.24
9 syDyMNM

2.18

-19.35

-17.17
10 sysyMNM

2.94

-19.57

-16.63
11 syEyyNM

2.34

-18.39

-16.05
12 PMDyyNM

2.39

-17.58

-15.19
13 yMEyyNM

2.07

-16.39

-14.32
14 yysyyNM

1.98

-15.6

-13.62
15 syDyyNL

1.9

-15.46

-13.56
16 syEyMNM

3.08

-16.05

-12.97
17 PyEyyNM

2.99

-14.27

-11.28
18 PysyyNM

2.75

-13.54

-10.79
19 sMsyyNM

2.35

-12.18

-9.83
20 yyDyyNL

3.1

-12.86

-9.76
21 sMDyyNM

2.65

-11.16

-8.51
22 yMDyyNM

1.72

-9.92

-8.2
23 sMsyMNM

1.87

-9.78

-7.91
24 sMDyyNL

2.28

-9.98

-7.7
25 PyDyyNM

5.79

-12.1

-6.31
26 sMEyyNM

3.34

-9.13

-5.79
27 yyDyyNM

5.99

-11.18

-5.19
28 sMEyMNM

3.39

-7.99

-4.6
29 yyDyMNM

6.97

-9.88

-2.91
30 yyEyyNM

21.29

-9.5

11.79

 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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