Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D2_1SEM-17.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9
poly-Ala
A
A
A
A
 A
G
 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 4.684 ΔGbinding -0.349
TOTAL
 4.335
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.430
Van der Waals -4.614 Backbone clash 0.081
Electrostatics 0.258 Helix dipole 0.000
Solvation Polar 4.688 Water bridges 0.000
Solvation Hyd -6.923 Disulfide 0.000
VdW clashes 2.998 Electrost. Kon 0.114
Entropy sc 0.906 Part.cov.bonds 0.000
Entropy mc

3.070

 ΔGstability

51.198
       

Predicted ligand sequences for model [BEM1-D2_1SEM-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPFRNGLSF 0.0
2 YPKRNGLSF 0.01
3 YPKRNGLAF 0.02
4 YPFRNGLAF 0.02
5 YPWRNGLSF 0.03
6 YPWRNGLAF 0.04
7 YPFRNGLSD 0.12
8 YPKRNGLSD 0.13
9 YPFRNGLSM 0.13
10 YPKRNGLSM 0.14
11 YPFRRGLSF 0.14
12 YPFRNGLAM 0.14
13 YPFRNGLAD 0.14
14 YPKRNGLAD 0.15
15 YPKRNGLAM 0.15
16 YPWRNGLSM 0.15
17 YPWRNGLSD 0.15
18 YPFRRGLAF 0.15
19 YPKRRGLSF 0.15
20 YPKRRGLAF 0.16
21 YPWRNGLAD 0.16
22 YPWRRGLSF 0.16
23 YPWRNGLAM 0.17
24 YPFRMGLSF 0.18
25 YPWRRGLAF 0.18
26 YPFRNGMSF 0.18
27 YPKRMGLSF 0.19
28 YPKRNGMSF 0.19
29 YPFRMGLAF 0.2
30 YPFRNGKSF 0.2
31 YPFRNGMAF 0.2
32 YPKRNGKSF 0.21
33 YPKRMGLAF 0.21
34 YPKRNGMAF 0.21
35 YPWRMGLSF 0.21
36 YPWRNGMSF 0.21
37 YPWRMGLAF 0.22
38 YPFRNGKAF 0.22
39 YPWRNGMAF 0.23
40 YPWRNGKSF 0.23
41 YPKRNGKAF 0.23
42 YPWRNGKAF 0.25
43 YPFRRGLSD 0.26
44 YPKRRGLSD 0.27
45 YPKRRGLSM 0.27
46 YIKRNGLSF 0.27
47 YIFRNGLSF 0.27
48 YPFRRGLSM 0.27
49 YPKRRGLAD 0.28
50 YIFRNGLAF 0.28
51 YPFRRGLAD 0.28
52 YPFRRGLAM 0.28
53 YPKRRGLAM 0.29
54 YIWRNGLSF 0.29
55 YIKRNGLAF 0.29
56 YPWRRGLSD 0.29
57 YPWRRGLSM 0.29
58 YPFRMGLSD 0.3
59 YPWRRGLAD 0.3
60 YPFRNGMSD 0.3
61 YPKRMGLSD 0.31
62 YPFRMGLSM 0.31
63 YPKRNGMSD 0.31
64 YIWRNGLAF 0.31
65 YPWRRGLAM 0.31
66 YPFRNGMSM 0.31
67 YPKRNGMSM 0.32
68 YPFRRGMSF 0.32
69 YPFRMGLAD 0.32
70 YPFRNGMAD 0.32
71 YPKRMGLSM 0.32
72 YPKRRGMSF 0.33
73 YPKRNGKSD 0.33
74 YPKRMGLAD 0.33
75 YPKRMGLAM 0.33
76 YPKRNGMAD 0.33
77 YPWRMGLSD 0.33
78 YPWRNGMSD 0.33
79 YPFRNGKSD 0.33
80 YPFRNGKSM 0.33
81 YPFRMGLAM 0.33
82 YPFRNGMAM 0.33
83 YPKRNGKSM 0.34
84 YPKRRGMAF 0.34
85 YPFRRGKSF 0.34
86 YPWRMGLSM 0.34
87 YPKRNGMAM 0.34
88 YPWRNGMSM 0.34
89 YPFRNGKAD 0.34
90 YPFRRGMAF 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPFRNGLSF

2.74

-9.64

-6.9
2 YPWRNGLSF

3.1

-9.69

-6.59
3 YPWRNGLSD

2.55

-8.54

-5.99
4 YPKRNGLSM

2.25

-7.84

-5.59
5 YPFRRGLSF

2.96

-8.36

-5.4
6 YPKRNGLAM

2.84

-8.2

-5.36
7 YPFRRGLAF

2.86

-8.18

-5.32
8 YPKRMGLSF

2.57

-7.63

-5.06
9 YPFRNGLSD

3.51

-8.45

-4.94
10 YPWRNGLAF

3.1

-7.97

-4.87
11 YPKRNGLSF

2.6

-7.47

-4.87
12 YPFRMGLAF

2.66

-7.46

-4.8
13 YPKRNGLAD

2.71

-7.5

-4.79
14 YPWRNGLAD

3.78

-8.5

-4.72
15 YPFRNGLAM

3.04

-7.56

-4.52
16 YPFRNGMSF

2.96

-7.44

-4.48
17 YPFRNGKSF

3.63

-7.97

-4.34
18 YPFRNGLAF

2.98

-7.16

-4.18
19 YPKRRGLAF

3.44

-7.55

-4.11
20 YPWRRGLSF

3.45

-7.53

-4.08
21 YPKRRGLSF

2.99

-6.98

-3.99
22 YPKRNGMSF

2.67

-6.49

-3.82
23 YPFRNGLSM

2.74

-6.44

-3.7
24 YPFRNGLAD

2.85

-6.45

-3.6
25 YPWRRGLAF

4.67

-8.02

-3.35
26 YPKRNGLSD

2.63

-5.96

-3.33
27 YPWRNGLAM

4.24

-7.5

-3.26
28 YPFRMGLSF

2.21

-5.4

-3.19
29 YPWRNGLSM

2.41

-5.35

-2.94
30 YPKRNGLAF

2.95

-5.73

-2.78

 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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