Predicted ligand sequences


ADAN-name: 1OBZ2.PDB (view again the scoring matrix)

PDB name: [1OBZ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D S V F
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 1.302 ΔGbinding -6.900
TOTAL
 -5.598
Backbone Hb -6.730 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.030
Van der Waals -6.700 Backbone clash 1.010
Electrostatics -0.660 Helix dipole 0.020
Solvation Polar 11.430 Water bridges -0.430
Solvation Hyd -9.000 Disulfide 0.000
VdW clashes 1.220 Electrost. Kon -0.280
Entropy sc 2.020 Part.cov.bonds 0.000
Entropy mc

2.190

 ΔGstability

-9.430
       

Predicted ligand sequences for template [1OBZ2.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).
 
  1OBZ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 LGLM 0.0
2 LGLL 0.03
3 LGMM 0.1
4 LGLW 0.12
5 LGML 0.13
6 MGLM 0.16
7 MGLL 0.19
8 LGMW 0.21
9 FGLM 0.24
10 MGMM 0.25
11 FGLL 0.27
12 MGLW 0.27
13 LFLM 0.28
14 MGML 0.28
15 LWLM 0.28
16 LYLM 0.29
17 LFLL 0.31
18 LWLL 0.31
19 LYLL 0.32
20 FGMM 0.34
21 FGLW 0.36
22 FGML 0.37
23 MGMW 0.37
24 LGLV 0.37
25 LWMM 0.37
26 LFMM 0.38
27 LYMM 0.38
28 LGIM 0.38
29 LWLW 0.39
30 LYLW 0.4
31 LFLW 0.4
32 LFML 0.41
33 VGLM 0.41
34 LWML 0.41
35 LYML 0.42
36 LGIL 0.42
37 MWLM 0.43
38 MYLM 0.44
39 VGLL 0.44
40 MFLM 0.44
41 FGMW 0.45
42 MYLL 0.47
43 MWLL 0.47
44 LGMV 0.47
45 MFLL 0.47
46 LFMW 0.49
47 LWMW 0.49
48 LYMW 0.5
49 LGIW 0.5
50 VGMM 0.51
51 FWLM 0.52
52 FFLM 0.52
53 FYLM 0.53
54 VGLW 0.53
55 MWMM 0.53
56 MGLV 0.53
57 MFMM 0.53
58 VGML 0.54
59 MGIM 0.54
60 MYMM 0.54
61 FWLL 0.55
62 MWLW 0.55
63 MFLW 0.55
64 FYLL 0.56
65 MYLW 0.56
66 FFLL 0.56
67 MWML 0.56
68 MGIL 0.57
69 MYML 0.57
70 MFML 0.57
71 FGLV 0.61
72 FWMM 0.61
73 FYMM 0.62
74 FGIM 0.62
75 VGMW 0.62
76 FFMM 0.62
77 MGMV 0.63
78 FWLW 0.63
79 FYLW 0.64
80 FFLW 0.64
81 MYMW 0.65
82 LWLV 0.65
83 MGIW 0.65
84 FWML 0.65
85 MWMW 0.65
86 FFML 0.65
87 MFMW 0.65
88 FYML 0.66
89 FGIL 0.66
90 LWIM 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FGMM

1.1

-9.75

-8.65
2 LGMM

0.99

-9.5

-8.51
3 LGLM

0.97

-9.39

-8.42
4 MGMW

1.08

-9.5

-8.42
5 MGLL

1.0

-9.33

-8.33
6 LGML

1.28

-9.56

-8.28
7 MGMM

1.43

-9.69

-8.26
8 FGML

1.01

-9.26

-8.25
9 MGLM

0.98

-9.23

-8.25
10 FGLL

0.98

-9.18

-8.2
11 LGLV

1.01

-9.02

-8.01
12 LGIM

1.0

-9.0

-8.0
13 FGLW

1.05

-9.0

-7.95
14 MGML

1.44

-9.33

-7.89
15 LFMM

1.88

-9.65

-7.77
16 LGMW

1.15

-8.68

-7.53
17 LGLW

1.12

-8.61

-7.49
18 LYLM

1.9

-9.11

-7.21
19 LFLM

1.88

-9.07

-7.19
20 LFLL

1.87

-9.05

-7.18
21 LWLW

1.45

-8.48

-7.03
22 LYLW

1.44

-8.44

-7.0
23 LWLL

1.26

-8.14

-6.88
24 LYMM

2.3

-9.15

-6.85
25 LWMM

2.27

-9.06

-6.79
26 MGLW

1.77

-8.36

-6.59
27 LYLL

2.15

-8.7

-6.55
28 LWLM

1.84

-8.37

-6.53
29 FGLM

1.74

-8.05

-6.31
30 LGLL

1.73

-7.67

-5.94

 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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