Predicted ligand sequences


ADAN-name: 1ABO2.PDB (view again the scoring matrix)

PDB name: [1ABO.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A P T M P P P L P P
position 1 2 3 4 5 6 7 8 9 10
poly-Ala A
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 1.809 ΔGbinding -13.570
TOTAL
 -11.761
Backbone Hb -1.090 Cis_bond 0.000
Sidechain Hb -1.010 Torsional clash 0.100
Van der Waals -8.410 Backbone clash 0.200
Electrostatics -0.090 Helix dipole 0.000
Solvation Polar 5.450 Water bridges -0.300
Solvation Hyd -12.750 Disulfide 0.000
VdW clashes 0.150 Electrost. Kon -0.140
Entropy sc 2.350 Part.cov.bonds 0.000
Entropy mc

2.180

 ΔGstability

0.590
       

Predicted ligand sequences for template [1ABO2.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).
 
  1ABO2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPRNKMMRIY 0.0
2 FPRNKMMRIY 0.01
3 MPRMKMMRIY 0.01
4 FPRMKMMRIY 0.02
5 MPRNKMMRPY 0.06
6 MPRMKMMRPY 0.07
7 FPRNKMMRPY 0.08
8 FPRMKMMRPY 0.09
9 YPRMKMMRIY 0.09
10 YPRNKMMRIY 0.09
11 MPRNKMMYIY 0.1
12 FPRNKMMYIY 0.11
13 MPRMKMMYIY 0.11
14 FPRMKMMYIY 0.12
15 MPRNRMMRIY 0.13
16 MPRNKMMFIY 0.14
17 MPRMRMMRIY 0.14
18 MPRMKMMFIY 0.15
19 FPRNRMMRIY 0.15
20 YPRNKMMRPY 0.15
21 MPRNKMMYPY 0.16
22 YPRMKMMRPY 0.16
23 FPRMRMMRIY 0.16
24 MPRNKHMRIY 0.16
25 FPRNKMMFIY 0.16
26 MPRMKMMYPY 0.17
27 FPRMKMMFIY 0.17
28 FPRNKHMRIY 0.17
29 MPRMKHMRIY 0.17
30 FPRNKMMYPY 0.17
31 FPRMKMMYPY 0.18
32 FPRMKHMRIY 0.18
33 YPRNKMMYIY 0.18
34 YPRMKMMYIY 0.19
35 MPRNRMMRPY 0.2
36 MPRMRMMRPY 0.2
37 MPRNKMMFPY 0.21
38 FPRNRMMRPY 0.21
39 YPRNRMMRIY 0.22
40 MPRNKHMRPY 0.22
41 MPRMKMMFPY 0.22
42 FPRMRMMRPY 0.22
43 FPRNKMMFPY 0.22
44 FPRMKMMFPY 0.23
45 YPRMRMMRIY 0.23
46 YPRNKMMFIY 0.23
47 MPRNRMMYIY 0.23
48 MPRMKHMRPY 0.23
49 FPRNRMMYIY 0.24
50 FPRNKHMRPY 0.24
51 MPRMRMMYIY 0.24
52 YPRMKMMFIY 0.24
53 YPRNKHMRIY 0.24
54 YPRMKMMYPY 0.25
55 MPRNKMMRVY 0.25
56 MPRNKHMYIY 0.25
57 YPRMKHMRIY 0.25
58 FPRMKHMRPY 0.25
59 FPRMRMMYIY 0.25
60 YPRNKMMYPY 0.25
61 MPRMKMMRVY 0.26
62 FPRNKMMRVY 0.26
63 MPRMKHMYIY 0.26
64 FPRMKMMRVY 0.27
65 FPRNKHMYIY 0.27
66 MPRNRMMFIY 0.27
67 FPRMKHMYIY 0.28
68 MPRMRMMFIY 0.28
69 YPRNRMMRPY 0.28
70 YPRNKMMFPY 0.29
71 YPRMRMMRPY 0.29
72 MPRNRHMRIY 0.29
73 FPRNRMMFIY 0.29
74 MPRNRMMYPY 0.29
75 MPRMRHMRIY 0.3
76 MPRNKMPRIY 0.3
77 FPRNRHMRIY 0.3
78 MPRNKHMFIY 0.3
79 YPRMKMMFPY 0.3
80 MPRMRMMYPY 0.3
81 FPRMRMMFIY 0.3
82 FPRNRMMYPY 0.31
83 FPRMRHMRIY 0.31
84 MPRMKMPRIY 0.31
85 YPRNKHMRPY 0.31
86 FPRNKHMFIY 0.31
87 FPRNKMPRIY 0.31
88 MPRMKHMFIY 0.31
89 YPRNRMMYIY 0.31
90 FPRMRMMYPY 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPRNKMMYPY

2.51

-16.16

-13.65
2 MPRMKMMRIY

2.98

-16.24

-13.26
3 MPRNKMMYPY

2.52

-15.75

-13.23
4 FPRNRMMRIY

2.57

-15.66

-13.09
5 MPRNKMMRPY

2.52

-15.51

-12.99
6 MPRNRMMRIY

2.59

-15.41

-12.82
7 FPRMKMMRIY

3.0

-15.8

-12.8
8 MPRNKMMRIY

2.61

-15.4

-12.79
9 FPRMRMMRIY

3.13

-15.91

-12.78
10 FPRNKMMRIY

2.55

-15.25

-12.7
11 FPRMKMMRPY

3.06

-15.66

-12.6
12 FPRMKMMYIY

3.14

-15.71

-12.57
13 FPRNKMMFIY

2.55

-15.11

-12.56
14 YPRMKMMRIY

3.05

-15.56

-12.51
15 YPRNKMMRPY

2.61

-15.12

-12.51
16 MPRMKMMFIY

3.03

-15.38

-12.35
17 YPRNKMMRIY

3.32

-15.66

-12.34
18 FPRNKMMYIY

2.59

-14.91

-12.32
19 YPRMKMMRPY

3.18

-15.46

-12.28
20 MPRMKMMRPY

2.85

-15.06

-12.21
21 MPRMKMMYPY

3.1

-15.31

-12.21
22 FPRNKHMRIY

2.59

-14.73

-12.14
23 MPRNKMMFIY

2.64

-14.77

-12.13
24 FPRMKMMFIY

3.06

-14.88

-11.82
25 MPRMKMMYIY

2.92

-14.56

-11.64
26 MPRNKMMYIY

2.46

-14.04

-11.58
27 MPRNKHMRIY

2.7

-14.22

-11.52
28 FPRNKMMRPY

3.33

-14.75

-11.42
29 MPRMKHMRIY

3.22

-13.86

-10.64
30 MPRMRMMRIY

3.27

-13.75

-10.48

 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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