Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-17.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 1.945 ΔGbinding 5.261
TOTAL
 7.206
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.354
Van der Waals -4.585 Backbone clash 0.161
Electrostatics 0.370 Helix dipole 0.000
Solvation Polar 4.677 Water bridges -0.030
Solvation Hyd -6.640 Disulfide 0.000
VdW clashes 7.422 Electrost. Kon 0.415
Entropy sc 0.621 Part.cov.bonds 0.000
Entropy mc

3.932

 ΔGstability

21.282
       

Predicted ligand sequences for model [LSB3_2A08-17.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).
 
  LSB3_2A08-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPYRNGKRR 0.0
2 FKYRNGKRR 0.0
3 RPYRNGKRR 0.04
4 RKYRNGKRR 0.04
5 FPYRNGRRR 0.18
6 FKYRNGRRR 0.18
7 RPYRNGRRR 0.22
8 RKYRNGRRR 0.22
9 MKYRNGKRR 0.26
10 MPYRNGKRR 0.26
11 FKFRNGKRR 0.26
12 FPFRNGKRR 0.27
13 RPFRNGKRR 0.3
14 RKFRNGKRR 0.3
15 FKYRNGFRR 0.38
16 FPYRNGFRR 0.38
17 RPYRNGFRR 0.41
18 RKYRNGFRR 0.41
19 FKYRFGKRR 0.42
20 FPYRFGKRR 0.42
21 FPYRRGKRR 0.44
22 MKYRNGRRR 0.44
23 MPYRNGRRR 0.44
24 FKYRRGKRR 0.44
25 RKYRFGKRR 0.45
26 FKFRNGRRR 0.45
27 FPFRNGRRR 0.45
28 RPYRFGKRR 0.46
29 RKYRRGKRR 0.47
30 RPYRRGKRR 0.47
31 RKFRNGRRR 0.48
32 RPFRNGRRR 0.48
33 FMYRNGKRR 0.5
34 MPFRNGKRR 0.52
35 MKFRNGKRR 0.52
36 RMYRNGKRR 0.54
37 FKYRFGRRR 0.6
38 FPYRFGRRR 0.6
39 FKYRRGRRR 0.62
40 FPYRRGRRR 0.62
41 MPYRNGFRR 0.63
42 MKYRNGFRR 0.63
43 RKYRFGRRR 0.64
44 FPFRNGFRR 0.64
45 FKFRNGFRR 0.64
46 RPYRFGRRR 0.64
47 RKYRRGRRR 0.66
48 RPYRRGRRR 0.66
49 MKYRFGKRR 0.67
50 RPFRNGFRR 0.68
51 MPYRFGKRR 0.68
52 RKFRNGFRR 0.68
53 FKFRFGKRR 0.68
54 FMYRNGRRR 0.68
55 FPFRFGKRR 0.68
56 MPYRRGKRR 0.69
57 MKYRRGKRR 0.69
58 MKFRNGRRR 0.7
59 MPFRNGRRR 0.7
60 FKFRRGKRR 0.7
61 FPFRRGKRR 0.7
62 RMYRNGRRR 0.72
63 RPFRFGKRR 0.72
64 RKFRFGKRR 0.72
65 RKFRRGKRR 0.74
66 RPFRRGKRR 0.74
67 FMFRNGKRR 0.76
68 MMYRNGKRR 0.76
69 FKYRFGFRR 0.8
70 FPYRFGFRR 0.8
71 RMFRNGKRR 0.8
72 FPYRRGFRR 0.81
73 FKYRRGFRR 0.81
74 RPYRFGFRR 0.83
75 RKYRFGFRR 0.83
76 RPYRRGFRR 0.85
77 RKYRRGFRR 0.85
78 MPYRFGRRR 0.86
79 MKYRFGRRR 0.86
80 FPFRFGRRR 0.87
81 FKFRFGRRR 0.87
82 FMYRNGFRR 0.88
83 FKFRRGRRR 0.88
84 MKYRRGRRR 0.88
85 MPYRRGRRR 0.88
86 FPFRRGRRR 0.89
87 MKFRNGFRR 0.9
88 RKFRFGRRR 0.9
89 RPFRFGRRR 0.9
90 MPFRNGFRR 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPFRNGKRR

2.64

-10.73

-8.09
2 RPYRNGRRR

2.82

-10.59

-7.77
3 FPYRRGKRR

2.4

-10.11

-7.71
4 FPYRFGKRR

2.45

-9.83

-7.38
5 FPYRNGRRR

3.53

-10.86

-7.33
6 MPYRNGKRR

2.39

-9.58

-7.19
7 RPYRRGKRR

2.49

-9.52

-7.03
8 FPFRNGRRR

2.7

-9.69

-6.99
9 MPYRNGRRR

3.39

-10.3

-6.91
10 FPFRNGKRR

2.53

-8.78

-6.25
11 RPYRNGFRR

2.47

-8.63

-6.16
12 MKYRNGRRR

2.5

-8.53

-6.03
13 RPYRNGKRR

2.68

-8.69

-6.01
14 FPYRNGFRR

2.24

-8.23

-5.99
15 RKFRNGKRR

2.75

-8.3

-5.55
16 FKYRNGFRR

2.37

-7.85

-5.48
17 RPYRFGKRR

3.43

-8.83

-5.4
18 MKYRNGKRR

2.54

-7.92

-5.38
19 RKYRFGKRR

3.2

-8.34

-5.14
20 RKYRNGRRR

3.01

-7.9

-4.89
21 FKFRNGRRR

2.77

-7.63

-4.86
22 FKYRNGKRR

2.54

-7.35

-4.81
23 FKYRNGRRR

3.0

-7.76

-4.76
24 RKYRRGKRR

2.48

-7.17

-4.69
25 FKYRFGKRR

2.38

-6.89

-4.51
26 RKYRNGFRR

2.65

-7.01

-4.36
27 FPYRNGKRR

4.25

-8.59

-4.34
28 FKYRRGKRR

2.6

-6.76

-4.16
29 FKFRNGKRR

3.72

-7.69

-3.97
30 RKYRNGKRR

3.72

-7.37

-3.65

 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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