Predicted ligand sequences


ADAN-name: 1F8A2.PDB (view again the scoring matrix)

PDB name: [1F8A.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Y s P T s P S
position 1 2 3 4 5 6 7
poly-Ala A A
A
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 1.019 ΔGbinding -12.485
TOTAL
 -11.466
Backbone Hb -2.375 Cis_bond 0.000
Sidechain Hb -5.500 Torsional clash 0.275
Van der Waals -8.285 Backbone clash 0.577
Electrostatics -2.482 Helix dipole 0.006
Solvation Polar 11.909 Water bridges -0.240
Solvation Hyd -9.773 Disulfide 0.000
VdW clashes 0.375 Electrost. Kon -2.050
Entropy sc 2.400 Part.cov.bonds 0.000
Entropy mc

3.256

 ΔGstability

15.788
       

Predicted ligand sequences for template [1F8A2.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).
 
  1F8A2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WDDFMPy 0.0
2 WDDFMPF 0.07
3 YDDFMPy 0.08
4 WDDFMPs 0.13
5 YDDFMPF 0.16
6 WyDFMPy 0.18
7 YDDFMPs 0.21
8 WyDFMPF 0.25
9 FDDFMPy 0.25
10 YyDFMPy 0.26
11 WYDFMPy 0.26
12 WyDFMPs 0.31
13 WWDFMPy 0.31
14 FDDFMPF 0.32
15 WYDFMPF 0.33
16 YyDFMPF 0.34
17 YYDFMPy 0.34
18 FDDFMPs 0.38
19 WWDFMPF 0.38
20 YyDFMPs 0.39
21 WYDFMPs 0.39
22 YWDFMPy 0.39
23 YYDFMPF 0.41
24 FyDFMPy 0.43
25 WWDFMPs 0.44
26 WDDFEPy 0.44
27 yDDFMPy 0.46
28 WDDFKPy 0.47
29 YYDFMPs 0.47
30 YWDFMPF 0.47
31 WDDFPPy 0.49
32 FyDFMPF 0.5
33 FYDFMPy 0.5
34 YWDFMPs 0.52
35 WDDFEPF 0.52
36 YDDFEPy 0.53
37 yDDFMPF 0.54
38 FWDFMPy 0.55
39 WDDFKPF 0.55
40 FyDFMPs 0.56
41 WDDFPPF 0.56
42 YDDFKPy 0.56
43 FYDFMPF 0.57
44 YDDFPPy 0.57
45 WDDFEPs 0.57
46 yDDFMPs 0.59
47 WDDFKPs 0.6
48 YDDFEPF 0.6
49 WDDFPPs 0.62
50 WyDFEPy 0.62
51 YDDFKPF 0.63
52 FYDFMPs 0.63
53 FWDFMPF 0.63
54 yyDFMPy 0.64
55 WyDFKPy 0.65
56 YDDFPPF 0.65
57 YDDFEPs 0.66
58 WyDFPPy 0.67
59 FWDFMPs 0.68
60 FDDFEPy 0.69
61 YDDFKPs 0.69
62 YDDFPPs 0.7
63 WyDFEPF 0.7
64 WYDFEPy 0.7
65 YyDFEPy 0.71
66 FDDFKPy 0.72
67 yYDFMPy 0.72
68 yyDFMPF 0.72
69 WyDFKPF 0.73
70 WYDFKPy 0.73
71 FDDFPPy 0.74
72 WyDFPPF 0.74
73 YyDFKPy 0.74
74 WYDFPPy 0.75
75 YyDFPPy 0.75
76 WWDFEPy 0.75
77 WyDFEPs 0.75
78 FDDFEPF 0.76
79 yWDFMPy 0.77
80 yyDFMPs 0.77
81 WYDFEPF 0.77
82 WWDFKPy 0.78
83 YyDFEPF 0.78
84 WyDFKPs 0.78
85 YYDFEPy 0.78
86 FDDFKPF 0.79
87 yYDFMPF 0.79
88 WyDFPPs 0.8
89 WWDFPPy 0.8
90 WYDFKPF 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YDDFMPF

1.86

-15.36

-13.5
2 YWDFMPF

2.14

-15.57

-13.43
3 FDDFMPF

1.83

-15.18

-13.35
4 FyDFMPy

2.06

-15.4

-13.34
5 yDDFMPy

1.54

-14.8

-13.26
6 WyDFMPy

2.14

-15.24

-13.1
7 YYDFMPF

1.88

-14.95

-13.07
8 FDDFMPy

1.96

-14.91

-12.95
9 YyDFMPF

1.84

-14.78

-12.94
10 WDDFMPF

1.91

-14.84

-12.93
11 WWDFMPF

1.54

-14.39

-12.85
12 WYDFMPF

1.61

-14.34

-12.73
13 WyDFMPF

1.74

-14.38

-12.64
14 YWDFMPy

1.92

-14.49

-12.57
15 YDDFMPs

1.62

-14.18

-12.56
16 YDDFMPy

1.84

-14.33

-12.49
17 WWDFMPy

1.56

-13.94

-12.38
18 WDDFMPs

1.56

-13.73

-12.17
19 FDDFMPs

1.56

-13.7

-12.14
20 WWDFMPs

2.64

-14.66

-12.02
21 YyDFMPs

1.56

-13.55

-11.99
22 YYDFMPy

1.91

-13.84

-11.93
23 WDDFEPy

1.67

-13.45

-11.78
24 WYDFMPy

2.17

-13.92

-11.75
25 WDDFMPy

1.71

-13.44

-11.73
26 YyDFMPy

2.07

-13.78

-11.71
27 WyDFMPs

1.87

-13.06

-11.19
28 WYDFMPs

1.11

-11.96

-10.85
29 YYDFMPs

1.98

-12.36

-10.38
30 WDDFKPy

1.61

-11.67

-10.06

 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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