Predicted ligand sequences


ADAN-name: 1A382.PDB (view again the scoring matrix)

PDB name: [1A38.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT W L D L E
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    

(Help)

Intraclash 17.086 ΔGbinding -6.440
TOTAL
 10.646
Backbone Hb -0.830 Cis_bond 0.000
Sidechain Hb -4.000 Torsional clash 0.470
Van der Waals -6.430 Backbone clash 0.690
Electrostatics -2.720 Helix dipole 0.080
Solvation Polar 9.530 Water bridges -2.280
Solvation Hyd -8.940 Disulfide 0.000
VdW clashes 1.250 Electrost. Kon -2.030
Entropy sc 7.060 Part.cov.bonds 0.000
Entropy mc

2.400

 ΔGstability

165.810
       

Predicted ligand sequences for template [1A382.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).
 
  1A382.PDB  

(data)
# Predicted Sequences Value Calculate
1 PVGLE 0.0
2 PGGLE 0.07
3 PVGME 0.12
4 PGGME 0.19
5 PVGLs 0.22
6 PGGLs 0.29
7 QVGLE 0.33
8 PVGMs 0.35
9 QGGLE 0.4
10 PGGMs 0.42
11 SVGLE 0.42
12 QVGME 0.45
13 EVGLE 0.47
14 SGGLE 0.49
15 QGGME 0.52
16 EGGLE 0.54
17 SVGME 0.54
18 QVGLs 0.55
19 EVGME 0.59
20 IVGLE 0.59
21 PNGLE 0.6
22 SGGME 0.61
23 QGGLs 0.62
24 PIGLE 0.64
25 PCGLE 0.65
26 SVGLs 0.65
27 EGGME 0.66
28 IGGLE 0.66
29 QVGMs 0.68
30 EVGLs 0.69
31 SGGLs 0.71
32 IVGME 0.72
33 PNGME 0.73
34 QGGMs 0.74
35 EGGLs 0.76
36 PIGME 0.76
37 SVGMs 0.77
38 PCGME 0.77
39 IGGME 0.78
40 EVGMs 0.81
41 IVGLs 0.82
42 PNGLs 0.83
43 SGGMs 0.84
44 PIGLs 0.86
45 PCGLs 0.87
46 EGGMs 0.88
47 IGGLs 0.89
48 QNGLE 0.93
49 IVGMs 0.94
50 PNGMs 0.95
51 QIGLE 0.96
52 QCGLE 0.98
53 PIGMs 0.98
54 PCGMs 0.99
55 IGGMs 1.01
56 SNGLE 1.03
57 SIGLE 1.06
58 QNGME 1.06
59 ENGLE 1.07
60 SCGLE 1.07
61 QIGME 1.09
62 QCGME 1.1
63 EIGLE 1.1
64 ECGLE 1.11
65 SNGME 1.15
66 QNGLs 1.16
67 SIGME 1.18
68 SCGME 1.19
69 QIGLs 1.19
70 INGLE 1.2
71 QCGLs 1.2
72 ENGME 1.2
73 IIGLE 1.23
74 EIGME 1.23
75 ICGLE 1.24
76 ECGME 1.24
77 SNGLs 1.25
78 SIGLs 1.28
79 QNGMs 1.28
80 SCGLs 1.29
81 ENGLs 1.3
82 QIGMs 1.31
83 QCGMs 1.32
84 INGME 1.32
85 EIGLs 1.33
86 ECGLs 1.34
87 IIGME 1.35
88 ICGME 1.36
89 SNGMs 1.37
90 SIGMs 1.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 QGGLs

10.61

-4.91

5.7
2 PGGLs

10.88

-4.91

5.97
3 PGGMs

10.81

-4.83

5.98
4 PGGME

10.79

-4.79

6.0
5 QVGLs

11.79

-5.71

6.08
6 PGGLE

10.73

-4.41

6.32
7 QGGLE

10.57

-4.1

6.47
8 QGGME

10.75

-4.17

6.58
9 EGGLE

10.65

-4.03

6.62
10 EGGME

10.95

-4.3

6.65
11 PVGLs

11.94

-5.07

6.87
12 EVGLs

12.41

-5.45

6.96
13 QVGLE

11.94

-4.97

6.97
14 PVGMs

11.51

-4.35

7.16
15 SVGLs

12.51

-5.33

7.18
16 QVGMs

12.16

-4.95

7.21
17 EVGLE

12.46

-5.2

7.26
18 IGGLE

11.09

-3.81

7.28
19 QVGME

13.01

-5.61

7.4
20 IVGLE

12.49

-5.0

7.49
21 SVGLE

12.53

-4.89

7.64
22 SGGLE

10.72

-3.07

7.65
23 PCGLE

11.8

-4.1

7.7
24 PNGLE

12.22

-4.36

7.86
25 SGGME

10.66

-2.75

7.91
26 PVGLE

11.87

-3.95

7.92
27 PIGLE

13.39

-5.43

7.96
28 PVGME

11.9

-3.71

8.19
29 EVGME

12.43

-3.7

8.73
30 SVGME

12.09

-3.09

9.0

 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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