Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK3-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 0.921 ΔGbinding -2.288
TOTAL
 -1.367
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.248
Van der Waals -1.966 Backbone clash -0.000
Electrostatics -0.347 Helix dipole 0.000
Solvation Polar 2.116 Water bridges 0.000
Solvation Hyd -3.003 Disulfide 0.000
VdW clashes 0.307 Electrost. Kon -0.432
Entropy sc 0.494 Part.cov.bonds 0.000
Entropy mc

1.569

 ΔGstability

4.346
       

Predicted ligand sequences for model [BBC1_1ZUK3-23.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).
 
  BBC1_1ZUK3-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 MKLRPRM 0.0
2 MKLRRRM 0.06
3 MKLKPRM 0.14
4 MKLKRRM 0.2
5 MKLRERM 0.34
6 MKLRKRM 0.39
7 MPLRPRM 0.39
8 MKLRHRM 0.41
9 MKRRPRM 0.45
10 MPLRRRM 0.45
11 MKLKERM 0.48
12 RKLRPRM 0.49
13 MKRRRRM 0.51
14 MPLKPRM 0.53
15 MKLKKRM 0.53
16 MKLKHRM 0.55
17 RKLRRRM 0.55
18 MELRPRM 0.57
19 MPLKRRM 0.59
20 MKRKPRM 0.59
21 RKLKPRM 0.63
22 MELRRRM 0.64
23 MKRKRRM 0.65
24 RKLKRRM 0.69
25 MELKPRM 0.71
26 MPLRERM 0.73
27 MELKRRM 0.78
28 MPLRKRM 0.78
29 MPLRHRM 0.79
30 MKRRERM 0.79
31 RKLRERM 0.82
32 MPRRPRM 0.84
33 MKRRKRM 0.84
34 MKRRHRM 0.86
35 MPLKERM 0.86
36 RKLRKRM 0.88
37 RPLRPRM 0.88
38 RKLRHRM 0.89
39 MPRRRRM 0.9
40 MELRERM 0.91
41 MPLKKRM 0.92
42 MPLKHRM 0.93
43 MKRKERM 0.93
44 RKRRPRM 0.94
45 RPLRRRM 0.94
46 MELRKRM 0.96
47 RKLKERM 0.97
48 MPRKPRM 0.98
49 MELRHRM 0.98
50 MKRKKRM 0.98
51 RKRRRRM 1.0
52 MKRKHRM 1.0
53 MERRPRM 1.02
54 RPLKPRM 1.02
55 RKLKKRM 1.02
56 RKLKHRM 1.03
57 MPRKRRM 1.04
58 MELKERM 1.05
59 RELRPRM 1.06
60 RPLKRRM 1.08
61 RKRKPRM 1.08
62 MERRRRM 1.09
63 MELKKRM 1.1
64 RELRRRM 1.12
65 MELKHRM 1.12
66 RKRKRRM 1.14
67 MERKPRM 1.17
68 MPRRERM 1.18
69 RELKPRM 1.2
70 RPLRERM 1.21
71 MPRRKRM 1.23
72 MERKRRM 1.23
73 MPRRHRM 1.25
74 RELKRRM 1.26
75 RPLRKRM 1.26
76 RKRRERM 1.28
77 RPLRHRM 1.28
78 MPRKERM 1.32
79 RKRRKRM 1.33
80 RPRRPRM 1.33
81 RKRRHRM 1.35
82 RPLKERM 1.35
83 MERRERM 1.36
84 MPRKKRM 1.37
85 RPRRRRM 1.39
86 MPRKHRM 1.39
87 RELRERM 1.4
88 RPLKKRM 1.4
89 MERRKRM 1.41
90 RPLKHRM 1.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKLKPRM

2.79

-8.23

-5.44
2 RKLRRRM

2.4

-7.77

-5.37
3 MKLRRRM

1.86

-7.15

-5.29
4 MKLKERM

1.81

-7.08

-5.27
5 MKLKKRM

1.78

-6.95

-5.17
6 MPLKRRM

2.01

-7.12

-5.11
7 MKLRERM

1.91

-6.86

-4.95
8 RKLKRRM

2.2

-7.12

-4.92
9 MKLRKRM

2.1

-6.99

-4.89
10 MPLRERM

2.04

-6.9

-4.86
11 MKLKRRM

2.07

-6.91

-4.84
12 MKLRHRM

1.96

-6.77

-4.81
13 MPLRRRM

2.27

-7.01

-4.74
14 MELKRRM

2.34

-6.95

-4.61
15 MKLRPRM

2.76

-7.34

-4.58
16 MELRRRM

2.07

-6.62

-4.55
17 MPLRKRM

2.03

-6.52

-4.49
18 RKLRPRM

2.4

-6.77

-4.37
19 MPLKPRM

2.73

-7.09

-4.36
20 MPLRHRM

2.22

-6.56

-4.34
21 MKLKHRM

2.23

-6.55

-4.32
22 MELRPRM

2.8

-6.83

-4.03
23 MKLKPRM

2.91

-6.8

-3.89
24 MPLRPRM

2.92

-6.78

-3.86
25 MKRKRRM

2.0

-5.82

-3.82
26 MKRRRRM

2.2

-5.84

-3.64
27 MELKPRM

2.82

-6.25

-3.43
28 MKRRERM

2.16

-5.42

-3.26
29 MKRKPRM

2.57

-5.55

-2.98
30 MKRRPRM

2.66

-5.56

-2.9

 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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