Predicted ligand sequences


ADAN-name: 3B762.PDB (view again the scoring matrix)

PDB name: [3B76.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E G S I V
position 1 2 3 4 5
poly-Ala 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 0.757 ΔGbinding -8.040
TOTAL
 -7.283
Backbone Hb -8.790 Cis_bond 0.000
Sidechain Hb -2.460 Torsional clash 0.000
Van der Waals -6.570 Backbone clash 0.850
Electrostatics -0.270 Helix dipole 0.120
Solvation Polar 12.090 Water bridges -0.480
Solvation Hyd -8.640 Disulfide 0.000
VdW clashes 0.120 Electrost. Kon -0.210
Entropy sc 3.660 Part.cov.bonds 0.000
Entropy mc

3.370

 ΔGstability

2.220
       

Predicted ligand sequences for template [3B762.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).
 
  3B762.PDB  

(data)
# Predicted Sequences Value Calculate
1 WGEFI 0.0
2 WGIFI 0.04
3 WGTFI 0.05
4 WGEMI 0.09
5 WGIMI 0.13
6 WGLFI 0.13
7 WGMFI 0.13
8 WGTMI 0.14
9 WGEWI 0.17
10 WGIWI 0.21
11 WGLMI 0.22
12 WGTWI 0.22
13 WGMMI 0.22
14 WGLWI 0.3
15 WGMWI 0.3
16 WGEYI 0.37
17 DGEFI 0.39
18 WGIYI 0.41
19 WGTYI 0.42
20 DGIFI 0.43
21 EGEFI 0.43
22 DGTFI 0.44
23 EGIFI 0.47
24 EGTFI 0.48
25 DGEMI 0.48
26 WGMYI 0.5
27 WGLYI 0.5
28 EGEMI 0.52
29 DGMFI 0.52
30 DGIMI 0.52
31 DGLFI 0.52
32 YGEFI 0.53
33 FGEFI 0.53
34 DGTMI 0.53
35 EGIMI 0.56
36 EGLFI 0.56
37 DGEWI 0.56
38 EGMFI 0.56
39 EGTMI 0.57
40 YGIFI 0.57
41 FGIFI 0.57
42 YGTFI 0.58
43 FGTFI 0.58
44 DGIWI 0.6
45 EGEWI 0.6
46 DGLMI 0.61
47 DGMMI 0.61
48 DGTWI 0.61
49 FGEMI 0.62
50 YGEMI 0.62
51 EGIWI 0.64
52 EGMMI 0.65
53 EGLMI 0.65
54 EGTWI 0.65
55 YGIMI 0.66
56 YGMFI 0.66
57 FGMFI 0.66
58 YGLFI 0.66
59 FGIMI 0.66
60 FGLFI 0.66
61 YGTMI 0.67
62 FGTMI 0.67
63 DGMWI 0.69
64 DGLWI 0.69
65 YGEWI 0.7
66 FGEWI 0.7
67 EGMWI 0.73
68 EGLWI 0.73
69 FGIWI 0.74
70 YGIWI 0.74
71 YGTWI 0.75
72 FGLMI 0.75
73 FGTWI 0.75
74 FGMMI 0.75
75 YGMMI 0.75
76 YGLMI 0.75
77 DGEYI 0.76
78 EGEYI 0.8
79 DGIYI 0.8
80 DGTYI 0.81
81 YGMWI 0.83
82 FGLWI 0.83
83 YGLWI 0.83
84 FGMWI 0.83
85 EGIYI 0.84
86 EGTYI 0.85
87 DGLYI 0.89
88 DGMYI 0.89
89 FGEYI 0.9
90 YGEYI 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WGIFI

1.01

-12.15

-11.14
2 WGMMI

0.88

-11.68

-10.8
3 DGIFI

1.34

-11.95

-10.61
4 WGMWI

1.03

-11.61

-10.58
5 WGIMI

1.0

-11.56

-10.56
6 WGIWI

1.15

-11.7

-10.55
7 WGLWI

1.14

-11.65

-10.51
8 WGIYI

1.17

-11.64

-10.47
9 WGTMI

1.31

-11.76

-10.45
10 WGLFI

1.11

-11.48

-10.37
11 EGTFI

0.98

-11.3

-10.32
12 DGMFI

1.19

-11.5

-10.31
13 EGEFI

1.08

-11.39

-10.31
14 WGEFI

1.07

-11.24

-10.17
15 WGMFI

1.1

-11.26

-10.16
16 EGEMI

0.94

-11.1

-10.16
17 DGEFI

0.92

-11.05

-10.13
18 WGLYI

1.11

-11.23

-10.12
19 WGEMI

1.02

-11.13

-10.11
20 DGIMI

1.6

-11.7

-10.1
21 EGIFI

1.17

-11.25

-10.08
22 WGEYI

0.9

-10.91

-10.01
23 WGTYI

0.93

-10.89

-9.96
24 WGEWI

1.04

-10.98

-9.94
25 WGLMI

1.25

-11.18

-9.93
26 WGMYI

1.46

-11.22

-9.76
27 DGEMI

1.02

-10.75

-9.73
28 WGTWI

0.96

-10.67

-9.71
29 DGTFI

1.07

-10.76

-9.69
30 WGTFI

1.03

-10.44

-9.41

 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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