Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D2_1SEM-12.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.162 ΔGbinding -1.087
TOTAL
 0.075
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.331
Van der Waals -1.781 Backbone clash 0.000
Electrostatics -0.021 Helix dipole 0.000
Solvation Polar 2.657 Water bridges -0.147
Solvation Hyd -2.525 Disulfide 0.000
VdW clashes 0.050 Electrost. Kon -0.105
Entropy sc 1.085 Part.cov.bonds 0.000
Entropy mc

1.143

 ΔGstability

46.978
       

Predicted ligand sequences for model [BEM1-D2_1SEM-12.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).
 
  BEM1-D2_1SEM-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYFMPRDR 0.0
2 FYFMPRDR 0.02
3 RYFMRRDR 0.06
4 KYFMPRDR 0.06
5 RWFMPRDR 0.06
6 FYFMRRDR 0.07
7 FWFMPRDR 0.08
8 KYFMRRDR 0.11
9 RWFMRRDR 0.12
10 KWFMPRDR 0.12
11 RYYMPRDR 0.13
12 RYFMKRDR 0.13
13 FWFMRRDR 0.14
14 FYFMKRDR 0.15
15 RYWMPRDR 0.15
16 FYYMPRDR 0.15
17 FYWMPRDR 0.17
18 KWFMRRDR 0.18
19 RYFMPRDK 0.19
20 KYFMKRDR 0.19
21 RYYMRRDR 0.19
22 KYYMPRDR 0.19
23 RYFRPRDR 0.19
24 RWFMKRDR 0.2
25 RWYMPRDR 0.2
26 FWYMPRDR 0.21
27 KYWMPRDR 0.21
28 FYFMPRDK 0.21
29 FYFRPRDR 0.21
30 RYWMRRDR 0.21
31 FWFMKRDR 0.21
32 FYYMRRDR 0.21
33 RWWMPRDR 0.22
34 FYWMRRDR 0.23
35 FWWMPRDR 0.23
36 RYFRRRDR 0.25
37 RYFMRRDK 0.25
38 RWFMPRDK 0.25
39 KYFMPRDK 0.25
40 RWYMRRDR 0.25
41 KWFMKRDR 0.25
42 KYFRPRDR 0.25
43 KWYMPRDR 0.25
44 KYYMRRDR 0.25
45 RYYMKRDR 0.26
46 RWFRPRDR 0.26
47 FYFMRRDK 0.26
48 FYFRRRDR 0.27
49 KYWMRRDR 0.27
50 FWFRPRDR 0.27
51 FWFMPRDK 0.27
52 FWYMRRDR 0.27
53 RWWMRRDR 0.28
54 KWWMPRDR 0.28
55 FYYMKRDR 0.28
56 FWWMRRDR 0.29
57 RYWMKRDR 0.29
58 KYFMRRDK 0.3
59 FYWMKRDR 0.3
60 RWFMRRDK 0.31
61 KYFRRRDR 0.31
62 RWFRRRDR 0.31
63 KWYMRRDR 0.31
64 KWFMPRDK 0.31
65 KWFRPRDR 0.31
66 RYYMPRDK 0.32
67 KYYMKRDR 0.32
68 RYFMKRDK 0.32
69 RYFRKRDR 0.32
70 FWFRRRDR 0.33
71 FWFMRRDK 0.33
72 RYYRPRDR 0.33
73 RWYMKRDR 0.33
74 KWWMRRDR 0.33
75 RYFMPRDP 0.34
76 FYFMKRDK 0.34
77 KYWMKRDR 0.34
78 RYWMPRDK 0.34
79 FYYRPRDR 0.34
80 FYYMPRDK 0.34
81 FYFRKRDR 0.34
82 FWYMKRDR 0.34
83 RYWRPRDR 0.35
84 RWWMKRDR 0.35
85 FYWMPRDK 0.36
86 FYFMPRDP 0.36
87 RMFMPRDR 0.36
88 FYWRPRDR 0.36
89 RYFWPRDR 0.37
90 FWWMKRDR 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWFMRRDR

2.36

-9.55

-7.19
2 RWYMPRDR

3.23

-9.51

-6.28
3 RWFMRRDR

2.26

-8.29

-6.03
4 FYFMRRDR

2.28

-8.16

-5.88
5 RYFMRRDR

2.19

-7.35

-5.16
6 RYYMRRDR

3.45

-8.58

-5.13
7 FYFMKRDR

2.31

-7.11

-4.8
8 RYFMPRDR

3.4

-8.11

-4.71
9 FYFMPRDR

2.49

-6.94

-4.45
10 RYWMPRDR

2.61

-7.01

-4.4
11 RWFMPRDR

2.47

-6.38

-3.91
12 KYWMPRDR

3.3

-7.05

-3.75
13 FYFRPRDR

3.02

-6.72

-3.7
14 FWFMPRDR

2.9

-6.56

-3.66
15 KYFMPRDR

2.73

-6.24

-3.51
16 FYYMPRDR

2.91

-5.99

-3.08
17 RYWMRRDR

3.62

-6.6

-2.98
18 FWYMPRDR

3.99

-6.84

-2.85
19 KYFMRRDR

3.72

-6.48

-2.76
20 RYFMPRDK

3.04

-5.79

-2.75
21 RWFMKRDR

3.04

-5.64

-2.6
22 KWFMPRDR

3.1

-5.3

-2.2
23 FYWMPRDR

3.9

-6.07

-2.17
24 KWFMRRDR

2.61

-4.72

-2.11
25 RYFRPRDR

4.07

-6.17

-2.1
26 FYFMPRDK

2.2

-3.88

-1.68
27 RYFMKRDR

3.1

-4.71

-1.61
28 KYYMPRDR

4.31

-5.0

-0.69
29 KYFMKRDR

5.55

-5.82

-0.27
30 RYYMPRDR

4.81

-4.65

0.16

 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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