Predicted ligand sequences


ADAN-name: 1HCT2.PDB (view again the scoring matrix)

PDB name: [1HCT.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT y E E I E
position 1 2 3 4 5
poly-Ala
y
 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 11.899 ΔGbinding -3.870
TOTAL
 8.029
Backbone Hb -0.050 Cis_bond 0.000
Sidechain Hb -1.910 Torsional clash 0.110
Van der Waals -7.210 Backbone clash 0.990
Electrostatics -2.310 Helix dipole -0.120
Solvation Polar 8.610 Water bridges -0.950
Solvation Hyd -9.260 Disulfide 0.000
VdW clashes 2.580 Electrost. Kon -1.840
Entropy sc 4.570 Part.cov.bonds 0.000
Entropy mc

3.910

 ΔGstability

133.010
       

Predicted ligand sequences for template [1HCT2.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).
 
  1HCT2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DMDGs 0.0
2 DIDGs 0.07
3 DMFGs 0.08
4 DMDGG 0.1
5 DMDGE 0.11
6 DMDGD 0.14
7 DIFGs 0.16
8 DIDGG 0.17
9 DMFGG 0.18
10 DIDGE 0.19
11 DMFGE 0.19
12 DIDGD 0.22
13 DMFGD 0.22
14 DIFGG 0.26
15 DIFGE 0.27
16 DIFGD 0.3
17 DMIGs 0.32
18 sMDGs 0.37
19 DMWGs 0.37
20 DIIGs 0.4
21 DMIGG 0.42
22 DLDGs 0.42
23 DMIGE 0.43
24 DIWGs 0.45
25 sIDGs 0.45
26 sMFGs 0.46
27 DMIGD 0.46
28 sMDGG 0.47
29 DMWGG 0.47
30 sMDGE 0.48
31 DMWGE 0.48
32 DIIGG 0.5
33 DIIGE 0.51
34 sMDGD 0.51
35 DLFGs 0.51
36 DMWGD 0.51
37 sIFGs 0.53
38 DLDGG 0.53
39 DIIGD 0.54
40 DLDGE 0.54
41 sIDGG 0.55
42 DIWGG 0.55
43 sMFGG 0.56
44 DIWGE 0.56
45 sIDGE 0.56
46 DLDGD 0.56
47 sMFGE 0.57
48 DIWGD 0.58
49 sIDGD 0.59
50 sMFGD 0.6
51 DLFGG 0.61
52 DLFGE 0.62
53 sIFGG 0.63
54 sIFGE 0.64
55 DLFGD 0.65
56 sIFGD 0.67
57 sMIGs 0.7
58 sMWGs 0.74
59 DLIGs 0.75
60 sIIGs 0.77
61 DLWGs 0.79
62 sMIGG 0.8
63 sLDGs 0.8
64 sMIGE 0.81
65 sIWGs 0.82
66 sMIGD 0.84
67 sMWGG 0.84
68 sMWGE 0.85
69 DLIGG 0.85
70 DLIGE 0.86
71 sIIGG 0.87
72 sIIGE 0.88
73 sMWGD 0.88
74 sLFGs 0.88
75 DLWGG 0.89
76 DLIGD 0.89
77 DLWGE 0.9
78 sLDGG 0.9
79 sIIGD 0.91
80 sLDGE 0.91
81 sIWGG 0.92
82 sIWGE 0.93
83 DLWGD 0.93
84 sLDGD 0.94
85 sIWGD 0.96
86 sLFGG 0.98
87 sLFGE 0.99
88 sLFGD 1.02
89 sLIGs 1.12
90 sLWGs 1.17
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DIFGE

3.47

-3.43

0.04
2 DIFGs

3.45

-3.33

0.12
3 DMFGG

3.55

-3.25

0.3
4 DMFGE

3.62

-3.24

0.38
5 DMIGE

3.62

-3.05

0.57
6 DIIGs

4.33

-3.68

0.65
7 DIFGG

4.07

-3.36

0.71
8 DMWGs

3.61

-2.72

0.89
9 DMIGs

3.59

-2.46

1.13
10 DMIGD

3.62

-2.45

1.17
11 DMIGG

3.61

-2.4

1.21
12 DIDGG

5.61

-4.09

1.52
13 sMFGs

3.13

-1.52

1.61
14 DMDGs

6.14

-4.33

1.81
15 DLDGs

6.32

-4.4

1.92
16 DIDGD

5.66

-3.74

1.92
17 DIFGD

5.72

-3.47

2.25
18 DMFGs

5.44

-3.13

2.31
19 DIWGs

5.68

-3.34

2.34
20 DIDGs

6.14

-3.66

2.48
21 sMDGs

5.1

-2.48

2.62
22 sIDGs

5.8

-2.96

2.84
23 DIDGE

7.1

-4.15

2.95
24 DMWGG

5.58

-2.5

3.08
25 DMDGE

6.89

-3.72

3.17
26 DMDGD

6.53

-3.25

3.28
27 sMDGG

5.18

-1.82

3.36
28 DMFGD

7.13

-2.92

4.21
29 DMDGG

7.11

-2.81

4.3
30 sMDGE

6.24

-1.56

4.68

 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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