Predicted ligand sequences


ADAN-name: 1PIC2.PDB (view again the scoring matrix)

PDB name: [1PIC.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT y V P M L
position 1 2 3 4 5
poly-Ala y 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 17.572 ΔGbinding 0.160
TOTAL
 17.732
Backbone Hb -1.760 Cis_bond 0.000
Sidechain Hb -1.330 Torsional clash 0.320
Van der Waals -10.820 Backbone clash 2.460
Electrostatics -2.940 Helix dipole 0.000
Solvation Polar 15.670 Water bridges -1.160
Solvation Hyd -13.860 Disulfide 0.000
VdW clashes 4.500 Electrost. Kon -2.100
Entropy sc 6.580 Part.cov.bonds 0.000
Entropy mc

7.050

 ΔGstability

393.180
       

Predicted ligand sequences for template [1PIC2.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).
 
  1PIC2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yWsMP 0.0
2 DWsMP 0.02
3 PWsMP 0.06
4 yFsMP 0.14
5 DFsMP 0.16
6 PFsMP 0.2
7 yWyMP 0.2
8 yWEMP 0.22
9 yWMMP 0.22
10 DWyMP 0.22
11 yYsMP 0.22
12 DWEMP 0.23
13 DYsMP 0.23
14 DWMMP 0.24
15 PWyMP 0.26
16 PWEMP 0.27
17 PYsMP 0.27
18 PWMMP 0.28
19 yKsMP 0.29
20 DKsMP 0.3
21 yFyMP 0.34
22 PKsMP 0.34
23 yFEMP 0.35
24 yFMMP 0.36
25 DFyMP 0.36
26 DFEMP 0.37
27 DFMMP 0.38
28 PFyMP 0.4
29 PFEMP 0.41
30 PFMMP 0.42
31 yYyMP 0.42
32 DYyMP 0.43
33 yYEMP 0.43
34 yYMMP 0.44
35 DYMMP 0.45
36 DYEMP 0.45
37 PYyMP 0.47
38 yWsPP 0.49
39 PYEMP 0.49
40 yKyMP 0.49
41 PYMMP 0.5
42 yKEMP 0.5
43 DKyMP 0.5
44 DWsPP 0.51
45 yKMMP 0.51
46 DKEMP 0.52
47 DKMMP 0.53
48 PKyMP 0.54
49 PWsPP 0.55
50 PKEMP 0.56
51 PKMMP 0.57
52 yFsPP 0.63
53 DFsPP 0.65
54 yWyPP 0.69
55 PFsPP 0.69
56 yWEPP 0.71
57 yWMPP 0.71
58 yYsPP 0.71
59 DWyPP 0.71
60 DYsPP 0.72
61 DWEPP 0.72
62 DWMPP 0.73
63 PWyPP 0.75
64 PWEPP 0.76
65 PYsPP 0.76
66 PWMPP 0.77
67 yKsPP 0.78
68 DKsPP 0.79
69 yFyPP 0.83
70 PKsPP 0.84
71 yFEPP 0.84
72 DFyPP 0.85
73 yFMPP 0.85
74 DFEPP 0.86
75 DFMPP 0.87
76 PFyPP 0.89
77 PFEPP 0.9
78 PFMPP 0.91
79 yYyPP 0.91
80 DYyPP 0.92
81 yYEPP 0.92
82 yYMPP 0.93
83 DYMPP 0.94
84 DYEPP 0.94
85 PYyPP 0.96
86 PYEPP 0.98
87 yKyPP 0.98
88 PYMPP 0.99
89 yKEPP 0.99
90 DKyPP 1.0
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PWsMP

12.77

-2.12

10.65
2 PKsMP

12.49

-1.8

10.69
3 PFsMP

11.99

-1.05

10.94
4 DFsMP

12.35

-1.14

11.21
5 DKsMP

12.33

-0.97

11.36
6 PFEMP

12.16

-0.79

11.37
7 DWsMP

12.71

-1.12

11.59
8 DWyMP

12.28

-0.59

11.69
9 PFyMP

12.05

-0.27

11.78
10 PWMMP

13.34

-1.34

12.0
11 PWEMP

13.02

-1.0

12.02
12 PYsMP

13.29

-1.08

12.21
13 DFEMP

12.65

-0.44

12.21
14 DYsMP

13.84

-1.32

12.52
15 DWEMP

13.54

-0.83

12.71
16 DWMMP

13.87

-1.12

12.75
17 PFMMP

12.13

0.65

12.78
18 DFMMP

13.51

-0.57

12.94
19 DFyMP

13.45

-0.42

13.03
20 yYsMP

18.28

-5.23

13.05
21 yWsMP

18.48

-5.39

13.09
22 PWyMP

13.24

0.16

13.4
23 yFyMP

17.01

-3.57

13.44
24 yFEMP

17.88

-3.84

14.04
25 yFsMP

19.01

-4.89

14.12
26 yFMMP

18.28

-3.96

14.32
27 yWyMP

18.9

-4.19

14.71
28 yWMMP

19.58

-4.65

14.93
29 yWEMP

19.72

-4.69

15.03
30 yKsMP

19.5

-3.9

15.6

 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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