Predicted ligand sequences


ADAN-name: 1BHF2.PDB (view again the scoring matrix)

PDB name: [1BHF.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT F E E 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 2.509 ΔGbinding -7.020
TOTAL
 -4.511
Backbone Hb -2.240 Cis_bond 0.000
Sidechain Hb -1.090 Torsional clash 0.050
Van der Waals -6.750 Backbone clash 0.340
Electrostatics -1.100 Helix dipole -0.010
Solvation Polar 7.560 Water bridges -1.060
Solvation Hyd -8.780 Disulfide 0.000
VdW clashes 0.110 Electrost. Kon -1.030
Entropy sc 4.110 Part.cov.bonds 0.000
Entropy mc

3.210

 ΔGstability

19.470
       

Predicted ligand sequences for template [1BHF2.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).
 
  1BHF2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FDsM 0.0
2 FDyM 0.04
3 FDsL 0.08
4 FDyL 0.12
5 DDsM 0.16
6 DDyM 0.2
7 DDsL 0.23
8 DDyL 0.27
9 MDsM 0.38
10 MDyM 0.42
11 FDWM 0.45
12 MDsL 0.46
13 FEsM 0.48
14 MDyL 0.5
15 FEyM 0.52
16 FDWL 0.53
17 FEsL 0.56
18 FEyL 0.6
19 DDWM 0.61
20 FDDM 0.61
21 DEsM 0.64
22 DEyM 0.68
23 DDWL 0.68
24 FDDL 0.69
25 DEsL 0.71
26 DEyL 0.75
27 DDDM 0.77
28 FDsE 0.83
29 MDWM 0.83
30 WDsM 0.84
31 DDDL 0.84
32 MEsM 0.86
33 FDyE 0.87
34 WDyM 0.88
35 MEyM 0.9
36 MDWL 0.91
37 WDsL 0.92
38 FEWM 0.93
39 MEsL 0.94
40 WDyL 0.96
41 MEyL 0.98
42 MDDM 0.99
43 DDsE 0.99
44 FEWL 1.01
45 DDyE 1.03
46 MDDL 1.07
47 FEDM 1.09
48 DEWM 1.09
49 DEWL 1.16
50 FEDL 1.17
51 MDsE 1.21
52 MDyE 1.25
53 DEDM 1.25
54 FDWE 1.28
55 WDWM 1.29
56 MEWM 1.31
57 FEsE 1.31
58 WEsM 1.32
59 DEDL 1.32
60 FEyE 1.35
61 WEyM 1.36
62 WDWL 1.37
63 MEWL 1.39
64 WEsL 1.4
65 DDWE 1.44
66 FDDE 1.44
67 WEyL 1.44
68 WDDM 1.45
69 MEDM 1.47
70 DEsE 1.47
71 DEyE 1.51
72 WDDL 1.53
73 MEDL 1.55
74 DDDE 1.6
75 WDsE 1.67
76 MDWE 1.67
77 MEsE 1.69
78 WDyE 1.72
79 MEyE 1.73
80 FEWE 1.76
81 WEWM 1.77
82 MDDE 1.83
83 WEWL 1.85
84 FEDE 1.92
85 DEWE 1.92
86 WEDM 1.93
87 WEDL 2.01
88 DEDE 2.08
89 WDWE 2.13
90 MEWE 2.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WDsM

2.37

-10.88

-8.51
2 DDsL

1.06

-9.36

-8.3
3 FDyL

1.93

-10.12

-8.19
4 MDyM

2.1

-10.08

-7.98
5 DDyL

1.08

-9.02

-7.94
6 MDsM

1.86

-9.74

-7.88
7 DDsM

1.26

-9.11

-7.85
8 DEyL

1.35

-9.16

-7.81
9 FDsM

2.12

-9.69

-7.57
10 DDWM

1.15

-8.69

-7.54
11 FEyL

1.83

-9.3

-7.47
12 DDWL

1.11

-8.51

-7.4
13 FDyM

2.02

-9.29

-7.27
14 FDsL

1.86

-9.12

-7.26
15 DEsM

1.17

-8.17

-7.0
16 MDsL

1.52

-8.5

-6.98
17 DDDM

1.43

-8.22

-6.79
18 DEsL

1.3

-8.09

-6.79
19 MDWM

1.73

-8.42

-6.69
20 FDWM

1.86

-8.45

-6.59
21 FEyM

2.02

-8.4

-6.38
22 FDWL

2.06

-8.4

-6.34
23 FDDL

1.71

-7.95

-6.24
24 FEsM

2.06

-8.3

-6.24
25 FDDM

2.08

-8.24

-6.16
26 DEyM

2.1

-7.89

-5.79
27 FDsE

1.96

-7.66

-5.7
28 FEsL

1.8

-7.47

-5.67
29 DDyM

1.62

-7.27

-5.65
30 MDyL

2.4

-7.58

-5.18

 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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