Predicted ligand sequences


ADAN-name: 1EFN2.PDB (view again the scoring matrix)

PDB name: [1EFN.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R P Q V P L R P M T Y
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
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 3.999 ΔGbinding -8.980
TOTAL
 -4.981
Backbone Hb -0.590 Cis_bond 0.000
Sidechain Hb -1.670 Torsional clash 0.060
Van der Waals -6.520 Backbone clash 0.300
Electrostatics -1.410 Helix dipole 0.000
Solvation Polar 5.950 Water bridges -0.360
Solvation Hyd -8.800 Disulfide 0.000
VdW clashes 0.240 Electrost. Kon -1.060
Entropy sc 3.670 Part.cov.bonds 0.000
Entropy mc

1.510

 ΔGstability

17.520
       

Predicted ligand sequences for template [1EFN2.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).
 
  1EFN2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPRMPHRRRHF 0.0
2 MPRMPHRRRHY 0.0
3 MPRMPKRRRHY 0.01
4 MPRMPKRRRHF 0.01
5 MPRMPHRRRHR 0.02
6 MPRMRHRRRHY 0.02
7 MPRMRHRRRHF 0.02
8 MPRMPKRRRHR 0.03
9 MPRMRKRRRHF 0.04
10 MPRMRKRRRHY 0.04
11 MPRMRHRRRHR 0.04
12 MPRIPHRRRHY 0.05
13 MPRIPHRRRHF 0.05
14 MPRIPKRRRHY 0.06
15 MPRMRKRRRHR 0.06
16 MPRIPKRRRHF 0.06
17 MPRIPHRRRHR 0.07
18 MPRIRHRRRHF 0.07
19 MPRIRHRRRHY 0.07
20 MPHMPHRRRHF 0.08
21 MPHMPHRRRHY 0.08
22 RPRMPHRRRHF 0.08
23 RPRMPHRRRHY 0.08
24 MPRIPKRRRHR 0.08
25 KPRMPHRRRHF 0.09
26 KPRMPHRRRHY 0.09
27 MPKMPHRRRHY 0.09
28 MPKMPHRRRHF 0.09
29 MPHMPKRRRHY 0.09
30 MPRIRKRRRHY 0.09
31 MPRIRKRRRHF 0.09
32 MPRMPRRRRHF 0.09
33 MPRMPRRRRHY 0.09
34 RPRMPKRRRHY 0.09
35 RPRMPKRRRHF 0.09
36 MPRIRHRRRHR 0.09
37 MPHMPKRRRHF 0.09
38 MPHMPHRRRHR 0.1
39 MPHMRHRRRHY 0.1
40 KPRMPKRRRHF 0.1
41 KPRMPKRRRHY 0.1
42 RPRMPHRRRHR 0.1
43 RPRMRHRRRHF 0.1
44 RPRMRHRRRHY 0.1
45 MPKMPKRRRHF 0.1
46 MPKMPKRRRHY 0.1
47 MPHMRHRRRHF 0.1
48 KPRMRHRRRHY 0.11
49 KPRMRHRRRHF 0.11
50 KPRMPHRRRHR 0.11
51 MPKMPHRRRHR 0.11
52 RPRMRKRRRHY 0.11
53 RPRMRKRRRHF 0.11
54 MPRMRRRRRHF 0.11
55 MPRMRRRRRHY 0.11
56 MPRMPHRRKHF 0.11
57 MPRMPHRRKHY 0.11
58 MPHMPKRRRHR 0.11
59 MPRIRKRRRHR 0.11
60 MPKMRHRRRHY 0.11
61 MPKMRHRRRHF 0.11
62 MPRMPRRRRHR 0.11
63 RPRMPKRRRHR 0.11
64 MPRMPKRRKHY 0.12
65 MPHMRHRRRHR 0.12
66 KPRMPKRRRHR 0.12
67 MPRKPHRRRHF 0.12
68 MPRKPHRRRHY 0.12
69 KPRMRKRRRHF 0.12
70 KPRMRKRRRHY 0.12
71 RPRMRHRRRHR 0.12
72 MPHMRKRRRHY 0.12
73 MPHMRKRRRHF 0.12
74 MPKMPKRRRHR 0.12
75 MPRMPKRRKHF 0.12
76 KPRMRHRRRHR 0.13
77 MPRKPKRRRHY 0.13
78 MPRKPKRRRHF 0.13
79 RPRIPHRRRHY 0.13
80 RPRIPHRRRHF 0.13
81 MPKMRKRRRHF 0.13
82 MPKMRKRRRHY 0.13
83 MPRMRHRRKHF 0.13
84 MPRMRHRRKHY 0.13
85 MPRMRRRRRHR 0.13
86 MPRMPHRRKHR 0.13
87 RPRMRKRRRHR 0.13
88 MPHIPHRRRHF 0.13
89 MPHIPHRRRHY 0.13
90 MPKMRHRRRHR 0.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPRIPHRRRHR

3.37

-13.74

-10.37
2 MPRIPKRRRHY

3.85

-13.89

-10.04
3 MPRMRKRRRHF

4.21

-13.81

-9.6
4 MPRIPHRRRHY

3.68

-13.19

-9.51
5 MPRMRKRRRHR

4.93

-14.42

-9.49
6 MPRMRHRRRHF

4.49

-13.93

-9.44
7 MPRIRKRRRHY

4.2

-13.55

-9.35
8 KPRMPHRRRHF

4.01

-13.3

-9.29
9 MPRMPHRRRHF

4.46

-13.68

-9.22
10 MPRIPKRRRHF

3.27

-12.26

-8.99
11 RPRMPHRRRHF

4.8

-13.75

-8.95
12 MPRMPHRRRHY

4.35

-13.23

-8.88
13 MPRMRKRRRHY

4.28

-13.11

-8.83
14 MPRMPHRRRHR

4.21

-13.01

-8.8
15 MPRIPHRRRHF

4.01

-12.73

-8.72
16 MPRIPKRRRHR

4.17

-12.86

-8.69
17 MPRMPKRRRHR

3.9

-12.49

-8.59
18 MPRMRHRRRHR

4.15

-12.59

-8.44
19 KPRMPHRRRHY

4.49

-12.89

-8.4
20 RPRMPHRRRHY

4.31

-12.69

-8.38
21 MPRMPKRRRHY

3.95

-12.31

-8.36
22 MPKMPHRRRHY

4.39

-12.7

-8.31
23 MPKMPHRRRHF

5.04

-13.31

-8.27
24 MPRIRHRRRHF

4.86

-13.1

-8.24
25 MPHMPHRRRHF

3.9

-12.05

-8.15
26 MPRMRHRRRHY

5.05

-13.19

-8.14
27 MPRMPKRRRHF

4.0

-12.03

-8.03
28 MPHMPHRRRHY

3.87

-11.85

-7.98
29 MPHMPKRRRHY

4.15

-11.75

-7.6
30 MPRIRHRRRHY

4.26

-11.86

-7.6

 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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