Predicted ligand sequences


ADAN-name: 2SRC3.PDB (view again the scoring matrix)

PDB name: [2SRC.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P Q y Q P G E N L
position 1 2 3 4 5 6 7 8 9
poly-Ala A A y 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 6.498 ΔGbinding -4.910
TOTAL
 1.588
Backbone Hb -3.860 Cis_bond 0.000
Sidechain Hb -5.900 Torsional clash 0.320
Van der Waals -8.110 Backbone clash 0.480
Electrostatics -2.550 Helix dipole -0.260
Solvation Polar 15.830 Water bridges -0.370
Solvation Hyd -7.830 Disulfide 0.000
VdW clashes 0.460 Electrost. Kon -1.400
Entropy sc 4.190 Part.cov.bonds 0.000
Entropy mc

4.560

 ΔGstability

30.020
       

Predicted ligand sequences for template [2SRC3.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).
 
  2SRC3.PDB  

(data)
# Predicted Sequences Value Calculate
1 GWIMsGMMY 0.0
2 GWIMyGMMY 0.02
3 GWIMsGsMY 0.03
4 GWIMDGMMY 0.03
5 GWIMsGDMY 0.05
6 GWIMyGsMY 0.05
7 GWIMDGsMY 0.06
8 GWIMyGDMY 0.07
9 GWIMDGDMY 0.08
10 GsIMsGMMY 0.08
11 GsIMyGMMY 0.1
12 GsIMDGMMY 0.11
13 GsIMsGsMY 0.12
14 GsIMsGDMY 0.13
15 GsIMyGsMY 0.14
16 GsIMyGDMY 0.15
17 GsIMDGsMY 0.15
18 GsIMDGDMY 0.16
19 GWIIsGMMY 0.18
20 GWIIyGMMY 0.2
21 GWMMsGMMY 0.2
22 GWIIDGMMY 0.21
23 GWIIsGsMY 0.21
24 GWMMyGMMY 0.22
25 GWIIsGDMY 0.22
26 GWMMDGMMY 0.23
27 GWIIyGsMY 0.23
28 GWMMsGsMY 0.24
29 GWIIDGsMY 0.24
30 GWIIyGDMY 0.25
31 GWMMsGDMY 0.25
32 GsIIsGMMY 0.26
33 GWMMyGsMY 0.26
34 GWIIDGDMY 0.26
35 GWMMyGDMY 0.27
36 GWMMDGsMY 0.27
37 GWMMDGDMY 0.28
38 GsIIyGMMY 0.28
39 GsMMsGMMY 0.29
40 GsIIDGMMY 0.29
41 GsIIsGsMY 0.29
42 GsIIyGsMY 0.31
43 GsIIsGDMY 0.31
44 GsMMyGMMY 0.31
45 PWIMsGMMY 0.31
46 GsMMDGMMY 0.32
47 GsMMsGsMY 0.32
48 GsIIDGsMY 0.32
49 GsIIyGDMY 0.33
50 PWIMyGMMY 0.33
51 GsMMsGDMY 0.33
52 PWIMsGsMY 0.34
53 PWIMDGMMY 0.34
54 GsIIDGDMY 0.34
55 GsMMyGsMY 0.34
56 GsMMDGsMY 0.35
57 GsMMyGDMY 0.35
58 PWIMsGDMY 0.36
59 GsMMDGDMY 0.36
60 PWIMyGsMY 0.36
61 GWyMsGMMY 0.37
62 yWIMsGMMY 0.38
63 PWIMyGDMY 0.38
64 PWIMDGsMY 0.38
65 GWMIsGMMY 0.38
66 GWyMyGMMY 0.39
67 PsIMsGMMY 0.39
68 PWIMDGDMY 0.39
69 yWIMyGMMY 0.4
70 GWMIyGMMY 0.4
71 GWyMsGsMY 0.4
72 GWyMDGMMY 0.4
73 GDIMsGMMY 0.4
74 yWIMDGMMY 0.41
75 PsIMyGMMY 0.41
76 GWMIsGsMY 0.41
77 yWIMsGsMY 0.41
78 GWMIDGMMY 0.41
79 GDIMyGMMY 0.42
80 PsIMDGMMY 0.42
81 GWyMsGDMY 0.42
82 GWyMyGsMY 0.42
83 yWIMsGDMY 0.42
84 GWMIsGDMY 0.43
85 GWMIyGsMY 0.43
86 yWIMyGsMY 0.43
87 GDIMDGMMY 0.43
88 PsIMsGsMY 0.43
89 GWyMDGsMY 0.43
90 GDIMsGsMY 0.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GsIMsGDMY

1.39

-4.65

-3.26
2 GsIMDGDMY

1.87

-4.92

-3.05
3 GsIMDGsMY

1.83

-4.88

-3.05
4 GsIMyGDMY

1.42

-4.1

-2.68
5 GWIMsGMMY

2.45

-5.11

-2.66
6 GWIIyGDMY

3.27

-5.66

-2.39
7 GsIMsGMMY

2.14

-4.3

-2.16
8 GsIMyGMMY

2.62

-4.73

-2.11
9 GsIMDGMMY

3.02

-4.94

-1.92
10 GWIMyGDMY

2.81

-4.71

-1.9
11 GWMMsGMMY

3.76

-5.36

-1.6
12 GWIMDGsMY

3.35

-4.94

-1.59
13 GWMMsGsMY

3.3

-4.88

-1.58
14 GWIMsGsMY

2.24

-3.71

-1.47
15 GWIMDGDMY

2.41

-3.87

-1.46
16 GWIMDGMMY

2.23

-3.55

-1.32
17 GWIIDGsMY

3.43

-4.6

-1.17
18 GsIMyGsMY

2.15

-3.26

-1.11
19 GWMMDGMMY

4.22

-5.3

-1.08
20 GWIMyGMMY

2.72

-3.65

-0.93
21 GWIIsGMMY

3.92

-4.38

-0.46
22 GsIMsGsMY

2.13

-2.48

-0.35
23 GWMMyGMMY

4.27

-4.16

0.11
24 GWIIsGsMY

4.19

-4.02

0.17
25 GWIMyGsMY

4.45

-4.17

0.28
26 GWIIsGDMY

4.66

-4.27

0.39
27 GWIMsGDMY

4.45

-3.79

0.66
28 GWIIDGMMY

4.39

-3.62

0.77
29 GWIIyGsMY

3.72

-2.7

1.02
30 GWIIyGMMY

4.72

-3.35

1.37

 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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