Predicted ligand sequences


ADAN-name: 2AWW2.PDB (view again the scoring matrix)

PDB name: [2AWW.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A T G L
position 1 2 3 4
poly-Ala A A G
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 1.554 ΔGbinding -6.810
TOTAL
 -5.256
Backbone Hb -5.740 Cis_bond 0.000
Sidechain Hb -1.660 Torsional clash 0.190
Van der Waals -6.020 Backbone clash 1.810
Electrostatics -0.100 Helix dipole 0.020
Solvation Polar 10.260 Water bridges -0.030
Solvation Hyd -7.930 Disulfide 0.000
VdW clashes 0.440 Electrost. Kon -0.090
Entropy sc 1.930 Part.cov.bonds 0.000
Entropy mc

1.910

 ΔGstability

19.560
       

Predicted ligand sequences for template [2AWW2.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).
 
  2AWW2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PMMI 0.0
2 PMFI 0.09
3 PMMM 0.2
4 FMMI 0.25
5 YMMI 0.26
6 PMFM 0.29
7 PFMI 0.31
8 FMFI 0.33
9 LMMI 0.35
10 YMFI 0.35
11 PFFI 0.4
12 EMMI 0.41
13 LMFI 0.44
14 FMMM 0.45
15 YMMM 0.47
16 EMFI 0.5
17 PMYI 0.51
18 PFMM 0.52
19 FMFM 0.53
20 LMMM 0.55
21 YMFM 0.55
22 FFMI 0.56
23 YFMI 0.58
24 PMLI 0.6
25 PFFM 0.6
26 EMMM 0.62
27 FFFI 0.64
28 PWMI 0.64
29 LMFM 0.64
30 LFMI 0.66
31 YFFI 0.66
32 EMFM 0.7
33 PMYM 0.71
34 EFMI 0.73
35 PWFI 0.73
36 LFFI 0.75
37 FMYI 0.76
38 FFMM 0.76
39 YFMM 0.78
40 YMYI 0.78
41 PMLM 0.8
42 EFFI 0.81
43 PFYI 0.82
44 PWMM 0.84
45 FMLI 0.85
46 FFFM 0.85
47 LMYI 0.86
48 LFMM 0.87
49 YMLI 0.87
50 YFFM 0.87
51 FWMI 0.89
52 YWMI 0.9
53 PFLI 0.92
54 EFMM 0.93
55 PWFM 0.93
56 EMYI 0.93
57 LMLI 0.95
58 LFFM 0.95
59 FMYM 0.96
60 FWFI 0.97
61 YMYM 0.98
62 YWFI 0.99
63 LWMI 0.99
64 EMLI 1.02
65 EFFM 1.02
66 PFYM 1.03
67 FMLM 1.05
68 EWMI 1.05
69 LMYM 1.06
70 FFYI 1.07
71 YMLM 1.07
72 LWFI 1.08
73 FWMM 1.09
74 YFYI 1.09
75 YWMM 1.11
76 PFLM 1.12
77 EMYM 1.13
78 EWFI 1.14
79 PWYI 1.15
80 LMLM 1.16
81 FFLI 1.16
82 FWFM 1.17
83 LFYI 1.17
84 YFLI 1.18
85 YWFM 1.19
86 LWMM 1.19
87 EMLM 1.22
88 PWLI 1.24
89 EFYI 1.24
90 EWMM 1.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PFMM

1.47

-8.41

-6.94
2 PMMI

1.43

-8.07

-6.64
3 PMFM

1.54

-8.08

-6.54
4 PFFI

2.06

-8.58

-6.52
5 PMMM

1.46

-7.93

-6.47
6 PFMI

2.14

-8.61

-6.47
7 FFMI

2.11

-8.46

-6.35
8 EMMI

1.37

-7.71

-6.34
9 LFMI

2.02

-8.29

-6.27
10 PWMI

2.09

-8.34

-6.25
11 PMLI

1.47

-7.69

-6.22
12 PFFM

1.48

-7.6

-6.12
13 FFFI

2.1

-8.11

-6.01
14 FMMM

2.38

-8.31

-5.93
15 YFMI

2.12

-8.04

-5.92
16 FMFM

1.53

-7.41

-5.88
17 YMMM

1.51

-7.34

-5.83
18 YMFI

1.56

-7.31

-5.75
19 YMFM

2.23

-7.94

-5.71
20 LMMI

1.52

-7.1

-5.58
21 EMMM

1.27

-6.81

-5.54
22 LMMM

1.53

-7.06

-5.53
23 PMFI

2.6

-7.98

-5.38
24 FMMI

2.4

-7.77

-5.37
25 YMMI

2.26

-7.55

-5.29
26 FMFI

2.47

-7.7

-5.23
27 LMFM

1.46

-6.69

-5.23
28 LMFI

2.37

-7.52

-5.15
29 PMYI

1.34

-6.18

-4.84
30 EMFI

2.82

-7.56

-4.74

 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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