Predicted ligand sequences


ADAN-name: 2C0I3.PDB (view again the scoring matrix)

PDB name: [2C0I.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K P Q K P W E K D
position 1 2 3 4 5 6 7 8 9
poly-Ala
A
A
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 1.250 ΔGbinding -10.740
TOTAL
 -9.490
Backbone Hb -1.090 Cis_bond 0.000
Sidechain Hb -2.610 Torsional clash 0.000
Van der Waals -7.640 Backbone clash 0.350
Electrostatics -0.810 Helix dipole 0.000
Solvation Polar 6.770 Water bridges -0.620
Solvation Hyd -10.870 Disulfide 0.000
VdW clashes 0.300 Electrost. Kon -0.660
Entropy sc 4.380 Part.cov.bonds 0.000
Entropy mc

2.110

 ΔGstability

-2.140
       

Predicted ligand sequences for template [2C0I3.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).
 
  2C0I3.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPEMIDWWW 0.0
2 RPEMPDWWW 0.01
3 RPEMIHWWW 0.01
4 RPKMIDWWW 0.01
5 RPKMPDWWW 0.02
6 RPKMIHWWW 0.03
7 RPEMPHWWW 0.03
8 RPELIDWWW 0.03
9 RPKLIDWWW 0.04
10 RPAMIDWWW 0.04
11 RPKMPHWWW 0.04
12 RPELIHWWW 0.05
13 RPELPDWWW 0.05
14 RPAMPDWWW 0.05
15 RPELPHWWW 0.06
16 RPKLIHWWW 0.06
17 RPAMIHWWW 0.06
18 RPKLPDWWW 0.06
19 RPALIDWWW 0.07
20 RPAMPHWWW 0.07
21 RPKLPHWWW 0.07
22 RPALIHWWW 0.09
23 RPALPDWWW 0.09
24 RPALPHWWW 0.1
25 RPEMIEWWW 0.15
26 RPEMPEWWW 0.16
27 RPKMIEWWW 0.16
28 RPKMPEWWW 0.17
29 RPELIEWWW 0.18
30 RPELPEWWW 0.19
31 RPKLIEWWW 0.19
32 RPAMIEWWW 0.19
33 RPKLPEWWW 0.2
34 RPAMPEWWW 0.2
35 RPALIEWWW 0.22
36 RPEMIDMWW 0.22
37 RPEMPDMWW 0.23
38 RPEMIHMWW 0.23
39 RPALPEWWW 0.23
40 RPKMIDMWW 0.23
41 RPKMPDMWW 0.24
42 RPKMIHMWW 0.24
43 RPEMPHMWW 0.25
44 RPELIDMWW 0.25
45 RPKLIDMWW 0.26
46 RPKMPHMWW 0.26
47 RPAMIDMWW 0.26
48 RPAMIHMWW 0.27
49 RPELPDMWW 0.27
50 RPAMPDMWW 0.27
51 RPELIHMWW 0.27
52 RPKLPDMWW 0.28
53 RPKLIHMWW 0.28
54 RPELPHMWW 0.28
55 RPAMPHMWW 0.29
56 RPEMIDDWW 0.29
57 RPALIDMWW 0.29
58 RPKLPHMWW 0.29
59 RPEMIHDWW 0.3
60 RPEMPDDWW 0.3
61 RPKMIDDWW 0.3
62 RPKMPDDWW 0.31
63 RPKMIHDWW 0.31
64 RPALPDMWW 0.31
65 RPEMPHDWW 0.31
66 RPALIHMWW 0.31
67 RPALPHMWW 0.32
68 RPKMPHDWW 0.32
69 RPELIDDWW 0.32
70 RPELPDDWW 0.33
71 RPKLIDDWW 0.33
72 RPAMIDDWW 0.33
73 RPKLPDDWW 0.34
74 RPAMIHDWW 0.34
75 RPELIHDWW 0.34
76 RPAMPDDWW 0.34
77 RPKLIHDWW 0.35
78 RPELPHDWW 0.35
79 RPAMPHDWW 0.35
80 RPEMIEMWW 0.36
81 RPKLPHDWW 0.36
82 RPALIDDWW 0.36
83 RPALPDDWW 0.37
84 RPEMPEMWW 0.38
85 RPALIHDWW 0.38
86 RPKMIEMWW 0.38
87 RPKMPEMWW 0.39
88 RPALPHDWW 0.39
89 RPELIEMWW 0.4
90 RPKLIEMWW 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPKMIHWWW

1.73

-16.87

-15.14
2 RPKMPEWWW

1.37

-16.38

-15.01
3 RPKLPDWWW

1.34

-16.24

-14.9
4 RPKLIHWWW

1.65

-16.38

-14.73
5 RPKMIDWWW

1.66

-16.3

-14.64
6 RPALIHWWW

1.66

-16.28

-14.62
7 RPKLIDWWW

1.69

-16.29

-14.6
8 RPEMPEWWW

1.48

-16.08

-14.6
9 RPELIEWWW

1.73

-16.31

-14.58
10 RPELIDWWW

1.69

-16.24

-14.55
11 RPKMIEWWW

1.59

-16.12

-14.53
12 RPAMIHWWW

1.85

-16.18

-14.33
13 RPELIHWWW

1.59

-15.86

-14.27
14 RPAMPDWWW

1.3

-15.49

-14.19
15 RPEMPHWWW

1.56

-15.63

-14.07
16 RPEMPDWWW

1.58

-15.64

-14.06
17 RPEMIEWWW

1.61

-15.63

-14.02
18 RPALIDWWW

1.85

-15.81

-13.96
19 RPELPHWWW

1.39

-15.18

-13.79
20 RPAMIDWWW

1.54

-15.25

-13.71
21 RPALPHWWW

1.54

-15.16

-13.62
22 RPELPEWWW

1.38

-14.84

-13.46
23 RPALPDWWW

1.4

-14.7

-13.3
24 RPKLPHWWW

1.48

-14.78

-13.3
25 RPELPDWWW

1.5

-14.7

-13.2
26 RPKMPHWWW

1.41

-14.09

-12.68
27 RPKMPDWWW

1.61

-14.29

-12.68
28 RPEMIHWWW

1.59

-14.08

-12.49
29 RPEMIDWWW

1.86

-14.3

-12.44
30 RPAMPHWWW

1.32

-13.72

-12.4

 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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