Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-9.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 1.008 ΔGbinding -1.649
TOTAL
 -0.641
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.535
Van der Waals -3.509 Backbone clash 0.170
Electrostatics 0.186 Helix dipole 0.000
Solvation Polar 4.218 Water bridges -0.194
Solvation Hyd -4.433 Disulfide 0.000
VdW clashes 1.107 Electrost. Kon 0.254
Entropy sc 0.995 Part.cov.bonds 0.000
Entropy mc

3.017

 ΔGstability

12.079
       

Predicted ligand sequences for model [LSB3_1OOT-9.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_1OOT-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FDYISPRW 0.0
2 FDYIMPRW 0.11
3 FDYIPPRW 0.11
4 FDYRSPRW 0.13
5 FDYISRRW 0.16
6 FDYISLRW 0.19
7 FDYRPPRW 0.24
8 FDYRMPRW 0.24
9 FDYIMRRW 0.26
10 FDYIPRRW 0.26
11 KDYISPRW 0.27
12 FDYIPLRW 0.29
13 FDYRSRRW 0.29
14 FDYIMLRW 0.3
15 FDYRSLRW 0.32
16 KDYIMPRW 0.38
17 KDYIPPRW 0.38
18 FPYISPRW 0.39
19 FDYRPRRW 0.4
20 KDYRSPRW 0.4
21 FDYRMRRW 0.4
22 FDYRPLRW 0.43
23 KDYISRRW 0.43
24 FDYRMLRW 0.43
25 KDYISLRW 0.46
26 FDYMSPRW 0.49
27 FDYISPRI 0.49
28 FPYIMPRW 0.49
29 FPYIPPRW 0.49
30 KDYRPPRW 0.51
31 KDYRMPRW 0.51
32 FPYRSPRW 0.52
33 KDYIPRRW 0.53
34 FPYISRRW 0.54
35 KDYIMRRW 0.54
36 KDYRSRRW 0.56
37 KDYIPLRW 0.57
38 KDYIMLRW 0.57
39 FPYISLRW 0.57
40 FDYIPPRI 0.59
41 KDYRSLRW 0.59
42 FDYMMPRW 0.6
43 FDYIMPRI 0.6
44 FDYMPPRW 0.6
45 FDYRSPRI 0.62
46 FPYRMPRW 0.63
47 FPYRPPRW 0.63
48 FDYISRRI 0.64
49 FPYIPRRW 0.65
50 FDYMSRRW 0.65
51 FPYIMRRW 0.65
52 KPYISPRW 0.66
53 KDYRPRRW 0.67
54 KDYRMRRW 0.67
55 FPYIMLRW 0.68
56 FPYRSRRW 0.68
57 FDYMSLRW 0.68
58 FPYIPLRW 0.68
59 FDYISLRI 0.68
60 KDYRMLRW 0.7
61 KDYRPLRW 0.7
62 FPYRSLRW 0.71
63 FDYRPPRI 0.73
64 FDYRMPRI 0.73
65 FDYIMRRI 0.75
66 FDYIPRRI 0.75
67 KPYIPPRW 0.76
68 FDYMMRRW 0.76
69 KDYISPRI 0.76
70 FDYMPRRW 0.76
71 KDYMSPRW 0.76
72 KPYIMPRW 0.77
73 FPYRMRRW 0.78
74 FPYRPRRW 0.78
75 FDYRSRRI 0.78
76 FDYIPLRI 0.78
77 FDYIMLRI 0.78
78 KPYRSPRW 0.79
79 FDYMPLRW 0.79
80 FDYMMLRW 0.79
81 FPYRMLRW 0.81
82 FDYRSLRI 0.81
83 KPYISRRW 0.81
84 FPYRPLRW 0.81
85 KPYISLRW 0.84
86 FPYISPRI 0.87
87 KDYMMPRW 0.87
88 KDYIMPRI 0.87
89 KDYMPPRW 0.87
90 KDYIPPRI 0.87
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KDYRPPRW

1.11

-11.62

-10.51
2 FDYRPRRW

1.32

-11.77

-10.45
3 FDYIPLRW

1.06

-11.31

-10.25
4 FDYRPLRW

1.44

-11.56

-10.12
5 FDYRPPRW

1.43

-11.31

-9.88
6 FDYIPRRW

1.24

-10.74

-9.5
7 KDYIPPRW

1.23

-10.72

-9.49
8 FDYIPPRW

1.21

-10.7

-9.49
9 FDYRSPRW

1.45

-10.51

-9.06
10 FDYRMLRW

1.55

-10.59

-9.04
11 FDYRMRRW

1.57

-10.21

-8.64
12 FDYRSLRW

1.54

-10.13

-8.59
13 FDYISRRW

1.34

-9.76

-8.42
14 FDYMSPRW

1.33

-9.64

-8.31
15 FDYISLRW

1.64

-9.76

-8.12
16 FDYIMRRW

1.69

-9.78

-8.09
17 FDYIMLRW

1.43

-9.48

-8.05
18 FDYIMPRW

1.42

-9.32

-7.9
19 KDYISRRW

1.28

-9.12

-7.84
20 FDYISPRI

1.46

-9.29

-7.83
21 FDYISPRW

1.62

-9.37

-7.75
22 KDYISLRW

1.57

-9.08

-7.51
23 KDYIMPRW

1.86

-9.27

-7.41
24 KDYRSPRW

1.42

-8.74

-7.32
25 FDYRSRRW

1.39

-8.64

-7.25
26 FDYRMPRW

1.57

-8.79

-7.22
27 FPYIPPRW

0.91

-7.73

-6.82
28 KDYISPRW

1.19

-7.15

-5.96
29 FPYIMPRW

1.67

-7.1

-5.43
30 FPYISPRW

1.42

-6.64

-5.22

 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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