Predicted ligand sequences


ADAN-name: 1U382.PDB (view again the scoring matrix)

PDB name: [1U38.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P V Y I
position 1 2 3 4
poly-Ala 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 10.664 ΔGbinding -7.250
TOTAL
 3.414
Backbone Hb -5.080 Cis_bond 0.000
Sidechain Hb -1.130 Torsional clash 0.570
Van der Waals -7.850 Backbone clash 3.090
Electrostatics -0.370 Helix dipole 0.000
Solvation Polar 10.350 Water bridges -0.360
Solvation Hyd -11.580 Disulfide 0.000
VdW clashes 3.180 Electrost. Kon -0.210
Entropy sc 3.410 Part.cov.bonds 0.000
Entropy mc

1.830

 ΔGstability

60.050
       

Predicted ligand sequences for template [1U382.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).
 
  1U382.PDB  

(data)
# Predicted Sequences Value Calculate
1 MGYM 0.0
2 MEYM 0.01
3 MGYV 0.1
4 MEYV 0.11
5 MDYM 0.12
6 MGFM 0.2
7 MIYM 0.2
8 MEFM 0.21
9 KGYM 0.22
10 MDYV 0.23
11 KEYM 0.23
12 MGFV 0.3
13 MIYV 0.3
14 MMYM 0.3
15 MEFV 0.31
16 KGYV 0.32
17 MDFM 0.32
18 KEYV 0.33
19 KDYM 0.34
20 RGYM 0.35
21 REYM 0.36
22 MIFM 0.4
23 MMYV 0.41
24 KGFM 0.42
25 KIYM 0.42
26 KEFM 0.43
27 MDFV 0.43
28 LGYM 0.43
29 LEYM 0.44
30 GGYM 0.45
31 RGYV 0.45
32 GEYM 0.45
33 KDYV 0.45
34 REYV 0.46
35 RDYM 0.47
36 MMFM 0.51
37 MIFV 0.51
38 KGFV 0.52
39 KMYM 0.53
40 KEFV 0.53
41 KIYV 0.53
42 LGYV 0.53
43 LEYV 0.54
44 KDFM 0.54
45 LDYM 0.55
46 RGFM 0.55
47 GGYV 0.55
48 RIYM 0.55
49 GEYV 0.56
50 REFM 0.56
51 GDYM 0.57
52 RDYV 0.58
53 MMFV 0.61
54 KIFM 0.62
55 KMYV 0.63
56 LIYM 0.63
57 LGFM 0.63
58 LEFM 0.64
59 LDYV 0.65
60 GIYM 0.65
61 RGFV 0.65
62 GGFM 0.65
63 KDFV 0.65
64 GEFM 0.65
65 RMYM 0.66
66 RIYV 0.66
67 REFV 0.66
68 GDYV 0.67
69 RDFM 0.68
70 KIFV 0.73
71 LMYM 0.73
72 LIYV 0.73
73 KMFM 0.73
74 LGFV 0.73
75 LEFV 0.74
76 GIYV 0.75
77 GMYM 0.75
78 RIFM 0.75
79 LDFM 0.75
80 GGFV 0.75
81 RMYV 0.76
82 GEFV 0.76
83 GDFM 0.77
84 RDFV 0.78
85 LIFM 0.83
86 KMFV 0.83
87 LMYV 0.84
88 GMYV 0.85
89 LDFV 0.85
90 GIFM 0.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MMYV

8.29

-10.0

-1.71
2 KGYV

7.97

-9.28

-1.31
3 MGYV

8.15

-9.22

-1.07
4 KGYM

7.97

-9.04

-1.07
5 MGFV

7.92

-8.98

-1.06
6 LEYM

8.58

-9.45

-0.87
7 MGYM

7.89

-8.73

-0.84
8 MIYV

8.3

-9.11

-0.81
9 MEYV

8.4

-9.12

-0.72
10 MDYV

8.38

-9.1

-0.72
11 MEYM

8.23

-8.92

-0.69
12 KEYM

8.2

-8.72

-0.52
13 MDFV

8.29

-8.8

-0.51
14 MEFV

8.35

-8.85

-0.5
15 KEYV

8.42

-8.92

-0.5
16 MGFM

8.08

-8.5

-0.42
17 REYM

8.33

-8.75

-0.42
18 MDYM

8.23

-8.57

-0.34
19 LGYM

8.0

-8.33

-0.33
20 MEFM

8.33

-8.5

-0.17
21 KEFM

8.18

-8.33

-0.15
22 KIYM

8.41

-8.54

-0.13
23 MDFM

8.18

-8.18

0.0
24 RGYM

8.06

-7.88

0.18
25 MIFM

8.11

-7.82

0.29
26 MMYM

9.09

-8.63

0.46
27 KDYM

8.98

-8.46

0.52
28 MIYM

8.39

-7.49

0.9
29 KGFM

13.32

-7.79

5.53
30 GGYM

11.1

-4.21

6.89

 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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