Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-21.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 10
poly-Ala
A
 A
A
A
G
G
 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 1.654 ΔGbinding -1.040
TOTAL
 0.614
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.117
Van der Waals -1.619 Backbone clash 0.071
Electrostatics 0.134 Helix dipole 0.000
Solvation Polar 1.574 Water bridges -0.071
Solvation Hyd -2.482 Disulfide 0.000
VdW clashes 0.257 Electrost. Kon 0.171
Entropy sc 0.295 Part.cov.bonds 0.000
Entropy mc

1.859

 ΔGstability

16.403
       

Predicted ligand sequences for model [LSB3_2A08-21.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).
 
  LSB3_2A08-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWIRGRPRRR 0.0
2 EWIIGRPRRR 0.02
3 EWFRGRPRRR 0.03
4 EWQRGRPRRR 0.03
5 EWFIGRPRRR 0.05
6 EWQIGRPRRR 0.05
7 EKIRGRPRRR 0.1
8 EKIIGRPRRR 0.12
9 EKFRGRPRRR 0.14
10 EKQRGRPRRR 0.14
11 EKQIGRPRRR 0.15
12 EKFIGRPRRR 0.16
13 EMIRGRPRRR 0.2
14 EMIIGRPRRR 0.22
15 EMQRGRPRRR 0.23
16 EMFRGRPRRR 0.23
17 EMFIGRPRRR 0.25
18 EMQIGRPRRR 0.25
19 EWIRGRPTRR 0.26
20 EWIIGRPTRR 0.28
21 EWQRGRPTRR 0.29
22 EWFRGRPTRR 0.29
23 EWFIGRPTRR 0.31
24 EWQIGRPTRR 0.31
25 EWIRGRTRRR 0.35
26 EKIRGRPTRR 0.36
27 EWIIGRTRRR 0.37
28 EWIRHRPRRR 0.38
29 EKIIGRPTRR 0.38
30 EWQRGRTRRR 0.39
31 EWFRGRTRRR 0.39
32 EKFRGRPTRR 0.4
33 EWQIGRTRRR 0.4
34 EWIIHRPRRR 0.4
35 EKQRGRPTRR 0.4
36 EWQRHRPRRR 0.41
37 EWFIGRTRRR 0.41
38 EKFIGRPTRR 0.41
39 EKQIGRPTRR 0.41
40 EWFRHRPRRR 0.42
41 EWIRGRERRR 0.43
42 EWFIHRPRRR 0.43
43 EWQIHRPRRR 0.43
44 EWIIGRERRR 0.45
45 EMIRGRPTRR 0.46
46 EKIRGRTRRR 0.46
47 EWFRGRERRR 0.47
48 EMIIGRPTRR 0.47
49 EWQRGRERRR 0.47
50 EKIRHRPRRR 0.48
51 EWQIGRERRR 0.48
52 EKIIGRTRRR 0.48
53 EMQRGRPTRR 0.49
54 EMFRGRPTRR 0.49
55 EKQRGRTRRR 0.49
56 EKFRGRTRRR 0.49
57 EWFIGRERRR 0.49
58 EKIIHRPRRR 0.5
59 EKQIGRTRRR 0.51
60 EMFIGRPTRR 0.51
61 EKFIGRTRRR 0.51
62 EMQIGRPTRR 0.51
63 EKFRHRPRRR 0.52
64 EKQRHRPRRR 0.52
65 EKQIHRPRRR 0.54
66 EKFIHRPRRR 0.54
67 EKIRGRERRR 0.54
68 EMIRGRTRRR 0.55
69 EKIIGRERRR 0.56
70 EMIIGRTRRR 0.57
71 EKFRGRERRR 0.57
72 EKQRGRERRR 0.57
73 EMIRHRPRRR 0.58
74 EMQRGRTRRR 0.59
75 EKQIGRERRR 0.59
76 EMFRGRTRRR 0.59
77 EKFIGRERRR 0.59
78 EMIIHRPRRR 0.6
79 EMQIGRTRRR 0.6
80 EMFIGRTRRR 0.6
81 EMFRHRPRRR 0.61
82 EWIRGRTTRR 0.61
83 EMQRHRPRRR 0.61
84 EMIRGRERRR 0.63
85 EMQIHRPRRR 0.63
86 EMFIHRPRRR 0.63
87 EWIIGRTTRR 0.63
88 EWIRHRPTRR 0.64
89 EWFRGRTTRR 0.65
90 EMIIGRERRR 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EMFIGRPRRR

3.39

-10.36

-6.97
2 EMQIGRPRRR

3.61

-10.41

-6.8
3 EKFIGRPRRR

3.49

-10.21

-6.72
4 EKQIGRPRRR

3.71

-9.84

-6.13
5 EKIIGRPRRR

3.81

-8.58

-4.77
6 EMIIGRPRRR

4.92

-9.68

-4.76
7 EWIIGRTRRR

4.0

-8.69

-4.69
8 EKFRGRPRRR

3.91

-8.44

-4.53
9 EWIIGRPRRR

4.09

-8.3

-4.21
10 EWQIGRPRRR

4.13

-8.26

-4.13
11 EKQRGRPRRR

4.13

-8.14

-4.01
12 EMIRGRPRRR

4.21

-8.0

-3.79
13 EKIRGRPTRR

5.17

-8.95

-3.78
14 EMFRGRPRRR

4.31

-8.06

-3.75
15 EWFIGRPRRR

4.08

-7.79

-3.71
16 EKIRGRPRRR

4.62

-8.23

-3.61
17 EWIRGRPRRR

4.36

-7.74

-3.38
18 EKIIGRPTRR

4.34

-7.65

-3.31
19 EMQRGRPRRR

4.24

-7.46

-3.22
20 EWIIGRPTRR

3.99

-7.04

-3.05
21 EWQIGRPTRR

4.22

-6.93

-2.71
22 EWQRGRTRRR

4.84

-7.25

-2.41
23 EWIRHRPRRR

4.97

-7.29

-2.32
24 EWFIGRPTRR

4.12

-6.44

-2.32
25 EWFRGRPTRR

4.37

-6.42

-2.05
26 EWFRGRPRRR

4.77

-6.69

-1.92
27 EWQRGRPRRR

5.03

-6.59

-1.56
28 EWQRGRPTRR

5.06

-6.56

-1.5
29 EWIRGRTRRR

4.7

-6.11

-1.41
30 EWIRGRPTRR

4.54

-5.83

-1.29

 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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