Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-28.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
 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 1.690 ΔGbinding 0.492
TOTAL
 2.182
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.331
Van der Waals -3.880 Backbone clash 0.101
Electrostatics 0.319 Helix dipole 0.000
Solvation Polar 3.829 Water bridges -0.028
Solvation Hyd -5.752 Disulfide 0.000
VdW clashes 2.097 Electrost. Kon 0.412
Entropy sc 0.701 Part.cov.bonds 0.000
Entropy mc

3.738

 ΔGstability

17.754
       

Predicted ligand sequences for model [LSB3_1OOT-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPYRFPRPRR 0.0
2 FPYRPPRPRR 0.0
3 FPYRPRRPRR 0.0
4 FPYRFRRPRR 0.0
5 FPYRPRRKRR 0.04
6 FPYRFRRKRR 0.04
7 FPYRRRRPRR 0.04
8 FPYRPPRKRR 0.04
9 FPYRRPRPRR 0.04
10 FPYRFPRKRR 0.05
11 FPYRRPRKRR 0.08
12 FPYRRRRKRR 0.08
13 FPYRFPRRRR 0.14
14 FPYRPKRPRR 0.14
15 FPYRPPRRRR 0.14
16 FPYRFKRPRR 0.14
17 FPYRPRRRRR 0.14
18 FPYRFRRRRR 0.14
19 FPYRFKRKRR 0.18
20 FPYRRRRRRR 0.18
21 FPYRRPRRRR 0.18
22 FPYRRKRPRR 0.18
23 FPYRPKRKRR 0.18
24 FPYRRKRKRR 0.22
25 FPPRFPRPRR 0.25
26 FPPRPRRPRR 0.25
27 FPPRFRRPRR 0.25
28 FPPRPPRPRR 0.25
29 FPYRFKRRRR 0.27
30 FPYRPKRRRR 0.27
31 FPHRFPRPRR 0.28
32 FPHRPPRPRR 0.28
33 FPHRFRRPRR 0.28
34 FPHRPRRPRR 0.28
35 FPPRFRRKRR 0.29
36 FPPRPPRKRR 0.29
37 FPPRRRRPRR 0.29
38 FPPRRPRPRR 0.29
39 FPPRPRRKRR 0.29
40 FPYRFPRPSR 0.3
41 FPYRPPRPSR 0.3
42 FPPRFPRKRR 0.3
43 FPYRPRRPSR 0.3
44 FPYRFRRPSR 0.3
45 FPYRRKRRRR 0.31
46 FPHRRPRPRR 0.32
47 FPHRRRRPRR 0.32
48 FPPRRPRKRR 0.33
49 FPPRRRRKRR 0.33
50 FPHRPPRKRR 0.33
51 FPHRPRRKRR 0.33
52 FPHRFRRKRR 0.33
53 FPHRFPRKRR 0.33
54 FPYRRRRPSR 0.34
55 WPYRPPRPRR 0.34
56 WPYRPRRPRR 0.34
57 FPYRRPRPSR 0.34
58 WPYRFRRPRR 0.34
59 WPYRFPRPRR 0.34
60 MPYRFPRPRR 0.35
61 FPYRPRRKSR 0.35
62 MPYRFRRPRR 0.35
63 MPYRPRRPRR 0.35
64 FPYRFPRKSR 0.35
65 FPYRPPRKSR 0.35
66 FPYRFRRKSR 0.35
67 MPYRPPRPRR 0.35
68 FPHRRRRKRR 0.37
69 FPHRRPRKRR 0.37
70 WPYRFRRKRR 0.38
71 WPYRRRRPRR 0.38
72 WPYRFPRKRR 0.38
73 WPYRPPRKRR 0.38
74 WPYRPRRKRR 0.38
75 WPYRRPRPRR 0.38
76 FPPRPKRPRR 0.39
77 MPYRRRRPRR 0.39
78 MPYRFRRKRR 0.39
79 FPYRRPRKSR 0.39
80 MPYRPPRKRR 0.39
81 MPYRPRRKRR 0.39
82 FPPRFRRRRR 0.39
83 FPPRFPRRRR 0.39
84 FPPRPRRRRR 0.39
85 FPPRPPRRRR 0.39
86 MPYRRPRPRR 0.39
87 MPYRFPRKRR 0.39
88 FPYRRRRKSR 0.39
89 FPPRFKRPRR 0.39
90 FWYRFPRPRR 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPYRRRRRRR

1.72

-13.2

-11.48
2 FPYRRRRKRR

1.72

-12.42

-10.7
3 FPPRPRRPRR

1.66

-12.21

-10.55
4 FPYRPPRRRR

1.48

-11.91

-10.43
5 FPYRFKRKRR

2.05

-12.31

-10.26
6 FPYRPRRRRR

1.51

-11.61

-10.1
7 FPYRFPRRRR

2.69

-12.58

-9.89
8 FPYRRKRKRR

2.18

-12.06

-9.88
9 FPPRFRRPRR

3.0

-12.65

-9.65
10 FPYRFRRPRR

2.71

-12.32

-9.61
11 FPYRPPRKRR

1.6

-11.18

-9.58
12 FPYRPKRPRR

1.64

-11.2

-9.56
13 FPYRFRRRRR

2.4

-11.75

-9.35
14 FPPRPPRPRR

2.2

-11.48

-9.28
15 FPYRRRRPRR

1.71

-10.97

-9.26
16 FPYRPKRKRR

1.53

-10.79

-9.26
17 FPYRRPRRRR

2.24

-11.46

-9.22
18 FPYRPKRRRR

1.59

-10.74

-9.15
19 FPYRFPRKRR

2.63

-11.76

-9.13
20 FPPRFPRPRR

2.87

-11.91

-9.04
21 FPYRPPRPRR

1.88

-10.81

-8.93
22 FPYRFKRRRR

2.43

-11.32

-8.89
23 FPYRRPRKRR

2.88

-11.72

-8.84
24 FPYRRKRPRR

2.09

-10.92

-8.83
25 FPYRRPRPRR

1.96

-10.23

-8.27
26 FPYRPRRKRR

1.97

-10.13

-8.16
27 FPYRFRRKRR

2.42

-10.57

-8.15
28 FPYRPRRPRR

2.84

-10.94

-8.1
29 FPYRFKRPRR

3.66

-11.75

-8.09
30 FPYRFPRPRR

2.82

-10.53

-7.71

 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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