Predicted ligand sequences


ADAN-name: 1Q3P2.PDB (view again the scoring matrix)

PDB name: [1Q3P.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E A Q T R L
position 1 2 3 4 5 6
poly-Ala A
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 5.903 ΔGbinding -8.290
TOTAL
 -2.387
Backbone Hb -8.710 Cis_bond 0.000
Sidechain Hb -4.430 Torsional clash 0.030
Van der Waals -10.070 Backbone clash 3.590
Electrostatics -1.180 Helix dipole 0.000
Solvation Polar 15.720 Water bridges -0.170
Solvation Hyd -12.250 Disulfide 0.000
VdW clashes 0.630 Electrost. Kon -0.750
Entropy sc 6.090 Part.cov.bonds 0.000
Entropy mc

6.800

 ΔGstability

15.250
       

Predicted ligand sequences for template [1Q3P2.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).
 
  1Q3P2.PDB  

(data)
# Predicted Sequences Value Calculate
1 GEDDWM 0.0
2 GEMDWM 0.08
3 GEDMWM 0.12
4 GEMMWM 0.2
5 GEDDMM 0.21
6 GEDDWL 0.21
7 GEWDWM 0.22
8 NEDDWM 0.23
9 GEDEWM 0.27
10 GEMDWL 0.29
11 DEDDWM 0.29
12 GEMDMM 0.3
13 NEMDWM 0.32
14 GEDMWL 0.33
15 GEDMMM 0.33
16 GEWMWM 0.34
17 NEDMWM 0.35
18 GEMEWM 0.35
19 DEMDWM 0.38
20 GEDDFM 0.41
21 DEDMWM 0.41
22 GEMMWL 0.41
23 GEDDML 0.42
24 GEMMMM 0.42
25 NEMMWM 0.43
26 GEWDMM 0.43
27 GEWDWL 0.43
28 NEDDWL 0.44
29 NEDDMM 0.45
30 NEWDWM 0.45
31 GEDEWL 0.47
32 GEWEWM 0.48
33 GEDEMM 0.48
34 GEMDFM 0.5
35 NEDEWM 0.5
36 DEMMWM 0.5
37 DEDDWL 0.5
38 DEDDMM 0.51
39 DEWDWM 0.51
40 GEMDML 0.51
41 NEMDWL 0.52
42 GEDMFM 0.53
43 NEMDMM 0.53
44 GEDMML 0.54
45 GEWMWL 0.54
46 GEWMMM 0.55
47 NEDMWL 0.56
48 DEDEWM 0.56
49 NEDMMM 0.56
50 GEMEWL 0.56
51 GEMEMM 0.56
52 NEWMWM 0.57
53 NEMEWM 0.58
54 DEMDMM 0.59
55 DEMDWL 0.59
56 GEDDFL 0.62
57 DEDMWL 0.62
58 GEMMFM 0.62
59 GEMMML 0.62
60 GEWDFM 0.63
61 DEDMMM 0.63
62 DEWMWM 0.63
63 NEMMWL 0.64
64 GEWDML 0.64
65 DEMEWM 0.65
66 NEDDFM 0.65
67 NEMMMM 0.65
68 NEDDML 0.65
69 NEWDMM 0.66
70 NEWDWL 0.66
71 GEDEFM 0.68
72 GEWEWL 0.69
73 GEDEML 0.69
74 GEWEMM 0.7
75 NEDEWL 0.7
76 DEMMWL 0.7
77 GEMDFL 0.71
78 DEMMMM 0.71
79 DEDDFM 0.71
80 NEDEMM 0.71
81 DEDDML 0.72
82 DEWDWL 0.72
83 NEWEWM 0.72
84 NEMDFM 0.73
85 DEWDMM 0.73
86 GEDMFL 0.74
87 NEMDML 0.74
88 GEWMFM 0.75
89 GEWMML 0.76
90 GEMEFM 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GEMEWM

3.64

-11.96

-8.32
2 GEDEWM

3.71

-11.86

-8.15
3 GEDDFM

3.93

-12.06

-8.13
4 NEMDWM

4.89

-12.71

-7.82
5 GEMMMM

3.57

-11.39

-7.82
6 GEMMWM

3.76

-11.55

-7.79
7 NEMMWM

4.57

-12.32

-7.75
8 GEWDWL

3.64

-11.18

-7.54
9 GEMDWL

3.69

-11.16

-7.47
10 DEMDWM

4.52

-11.89

-7.37
11 GEMDWM

3.83

-11.17

-7.34
12 GEMDMM

3.58

-10.92

-7.34
13 GEWDMM

3.55

-10.86

-7.31
14 GEDDWL

3.65

-10.83

-7.18
15 NEDDWL

4.81

-11.95

-7.14
16 GEDDML

3.78

-10.91

-7.13
17 GEDMMM

3.6

-10.68

-7.08
18 GEWMWM

3.71

-10.59

-6.88
19 NEWDWM

4.41

-11.27

-6.86
20 GEDDWM

3.56

-10.41

-6.85
21 NEDMWM

4.52

-11.3

-6.78
22 GEDDMM

3.55

-10.27

-6.72
23 NEDDWM

4.53

-11.24

-6.71
24 GEDMWM

3.78

-10.32

-6.54
25 GEWDWM

3.54

-10.02

-6.48
26 DEDDWM

4.49

-10.64

-6.15
27 NEDDMM

4.38

-10.45

-6.07
28 DEDMWM

4.63

-10.51

-5.88
29 GEDMWL

4.83

-10.58

-5.75
30 GEMMWL

3.81

-9.47

-5.66

 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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