Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-1.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 12.875 ΔGbinding -4.260
TOTAL
 8.615
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.332
Van der Waals -4.245 Backbone clash 0.268
Electrostatics -0.118 Helix dipole 0.000
Solvation Polar 4.503 Water bridges -0.021
Solvation Hyd -6.120 Disulfide 0.000
VdW clashes 0.239 Electrost. Kon -0.103
Entropy sc 1.005 Part.cov.bonds 0.000
Entropy mc

1.816

 ΔGstability

54.102
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-1.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-D1_JO8-LCK-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRSRKFRRRY 0.0
2 FRERKFRRRY 0.0
3 FRERRFRRRY 0.01
4 FRSRRFRRRY 0.01
5 FRFRKFRRRY 0.02
6 FRFRRFRRRY 0.03
7 FRERKFRKRY 0.12
8 FRSRRFRKRY 0.13
9 FRSRKFRKRY 0.13
10 FRERRFRKRY 0.13
11 FRFRKFRKRY 0.14
12 FRFRRFRKRY 0.15
13 FRERRFRPRY 0.33
14 FRSRKFRPRY 0.33
15 FRERKFRPRY 0.33
16 FRSRRFRPRY 0.34
17 FRFRRFRPRY 0.35
18 FRFRKFRPRY 0.35
19 FRERKFRRNY 0.36
20 FRSRKFRRNY 0.36
21 FRSRRFRRNY 0.37
22 FRERRFRRNY 0.37
23 FRERKFRRIY 0.38
24 FRFRKFRRNY 0.38
25 FRSRKFRRIY 0.39
26 FRERRFRRIY 0.39
27 FRSRRFRRIY 0.39
28 FRFRRFRRNY 0.39
29 FRFRRFRRIY 0.41
30 FRFRKFRRIY 0.41
31 FRERKPRRRY 0.43
32 FRERRPRRRY 0.44
33 FRSRKPRRRY 0.44
34 FRSRRPRRRY 0.44
35 FRFRKPRRRY 0.46
36 FRFRRPRRRY 0.46
37 FRERKFRKNY 0.48
38 FRERHFRRRY 0.48
39 FRSRHFRRRY 0.48
40 FRSRRFRKNY 0.49
41 FRSRKFRKNY 0.49
42 FRERRFRKNY 0.49
43 FRFRHFRRRY 0.5
44 FRFRRFRKNY 0.51
45 FRSRKFRKIY 0.51
46 FRERKFRKIY 0.51
47 FRFRKFRKNY 0.51
48 FRERRFRKIY 0.51
49 FRSRRFRKIY 0.52
50 FRFRKFRKIY 0.53
51 FRFRRFRKIY 0.54
52 FRERRPRKRY 0.56
53 FRSRKPRKRY 0.56
54 FRERKPRKRY 0.56
55 FRSRRPRKRY 0.57
56 FRFRRPRKRY 0.58
57 FRFRKPRKRY 0.58
58 FRSRHFRKRY 0.6
59 FRERHFRKRY 0.6
60 FRFRHFRKRY 0.62
61 FRERKFRPNY 0.69
62 FRERRFRPNY 0.69
63 FRSRKFRPNY 0.69
64 FRSRRFRPNY 0.7
65 FRFRKFRPNY 0.71
66 FRERKFRPIY 0.71
67 FRSRKFRPIY 0.71
68 FRFRRFRPNY 0.72
69 FRSRRFRPIY 0.72
70 FRERRFRPIY 0.72
71 FRFRKFRPIY 0.73
72 FRFRRFRPIY 0.74
73 FRSRKPRPRY 0.76
74 FRERKPRPRY 0.76
75 FRERRPRPRY 0.77
76 FRSRRPRPRY 0.77
77 FRFRKPRPRY 0.78
78 FRERKPRRNY 0.79
79 FRFRRPRPRY 0.79
80 FRSRRPRRNY 0.8
81 FRERHFRPRY 0.8
82 FRSRKPRRNY 0.8
83 FRERRPRRNY 0.8
84 FRSRHFRPRY 0.81
85 FRFRRPRRNY 0.82
86 FRERKPRRIY 0.82
87 FRERRPRRIY 0.82
88 FRFRKPRRNY 0.82
89 FRSRKPRRIY 0.82
90 FRFRHFRPRY 0.83
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRFRRFRRNY

9.44

-12.65

-3.21
2 FRERKFRRRY

8.83

-10.83

-2.0
3 FRSRRFRKRY

8.1

-10.08

-1.98
4 FRSRRFRRNY

11.0

-12.54

-1.54
5 FRFRKFRRNY

9.67

-11.06

-1.39
6 FRFRRFRPRY

9.75

-11.09

-1.34
7 FRFRRFRKRY

10.53

-11.77

-1.24
8 FRERKFRPRY

10.44

-11.67

-1.23
9 FRERRFRRNY

10.48

-11.6

-1.12
10 FRSRRFRRIY

8.63

-9.7

-1.07
11 FRSRKFRRNY

11.63

-12.69

-1.06
12 FRSRKFRRIY

8.66

-9.6

-0.94
13 FRFRRFRRIY

9.84

-10.76

-0.92
14 FRFRKFRRRY

9.5

-10.17

-0.67
15 FRFRKFRPRY

9.68

-10.33

-0.65
16 FRSRRFRRRY

9.18

-9.61

-0.43
17 FRERKFRRNY

9.25

-9.67

-0.42
18 FRERRFRPRY

10.11

-10.34

-0.23
19 FRFRKFRRIY

9.99

-10.12

-0.13
20 FRSRRFRPRY

8.59

-8.47

0.12
21 FRERRFRRIY

11.38

-11.09

0.29
22 FRERRFRRRY

10.71

-10.33

0.38
23 FRFRKFRKRY

11.58

-10.89

0.69
24 FRSRKFRKRY

9.07

-8.19

0.88
25 FRERKFRRIY

9.18

-8.25

0.93
26 FRSRKFRPRY

10.84

-9.84

1.0
27 FRERKFRKRY

10.98

-9.79

1.19
28 FRERRFRKRY

10.53

-9.11

1.42
29 FRSRKFRRRY

10.83

-9.03

1.8
30 FRFRRFRRRY

8.78

-6.96

1.82

 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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