Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-25.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
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 2.183 ΔGbinding 7.788
TOTAL
 9.971
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.576
Van der Waals -3.792 Backbone clash 3.763
Electrostatics 0.127 Helix dipole 0.000
Solvation Polar 4.355 Water bridges 0.012
Solvation Hyd -4.731 Disulfide 0.000
VdW clashes 8.919 Electrost. Kon 0.163
Entropy sc 0.501 Part.cov.bonds 0.000
Entropy mc

2.933

 ΔGstability

25.937
       

Predicted ligand sequences for model [BZZ1-D2_2A28-25.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).
 
  BZZ1-D2_2A28-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRKPRRPKR 0.0
2 HRKPRREKR 0.04
3 HRKPRRDKR 0.06
4 HRKPKRPKR 0.06
5 HRKPRRPRR 0.1
6 HRKPKREKR 0.1
7 RRKPRRPKR 0.11
8 HRKPKRDKR 0.11
9 HRKPRRERR 0.14
10 RRKPRREKR 0.15
11 HRKPRRDRR 0.15
12 HRKPKRPRR 0.15
13 RRKPRRDKR 0.17
14 RRKPKRPKR 0.17
15 HRKPKRERR 0.2
16 HRKPVRPKR 0.21
17 DRKPRRPKR 0.21
18 RRKPKREKR 0.21
19 HRKPKRDRR 0.21
20 RRKPRRPRR 0.21
21 RRKPKRDKR 0.22
22 HRKPVREKR 0.25
23 RRKPRRERR 0.25
24 DRKPRREKR 0.25
25 DRKPRRDKR 0.26
26 RRKPRRDRR 0.26
27 DRKPKRPKR 0.26
28 RRKPKRPRR 0.27
29 HRKPVRDKR 0.27
30 DRKPRRPRR 0.3
31 DRKPKREKR 0.3
32 RRKPKRERR 0.31
33 HRKPVRPRR 0.31
34 DRKPKRDKR 0.32
35 RRKPVRPKR 0.32
36 RRKPKRDRR 0.32
37 DRKPRRERR 0.34
38 HRKPVRERR 0.35
39 DRKPRRDRR 0.36
40 RRKPVREKR 0.36
41 HRKPVRDRR 0.36
42 DRKPKRPRR 0.36
43 HRKKRRPKR 0.37
44 RRKPVRDKR 0.38
45 DRKPKRERR 0.4
46 HRKKRREKR 0.41
47 DRKPVRPKR 0.42
48 DRKPKRDRR 0.42
49 RRKPVRPRR 0.42
50 HRKKRRDKR 0.43
51 HRKKKRPKR 0.43
52 RRKPVRERR 0.46
53 HRKRRRPKR 0.46
54 DRKPVREKR 0.46
55 HRKKKREKR 0.47
56 DRKPVRDKR 0.47
57 HRKKRRPRR 0.47
58 RRKPVRDRR 0.47
59 RRKKRRPKR 0.48
60 HRKKKRDKR 0.49
61 HRKRRREKR 0.5
62 DRKPVRPRR 0.51
63 HRKKRRERR 0.51
64 HRKRRRDKR 0.52
65 HRKRKRPKR 0.52
66 RRKKRREKR 0.53
67 HRKKRRDRR 0.53
68 HRKKKRPRR 0.53
69 RRKKRRDKR 0.54
70 RRKKKRPKR 0.54
71 DRKPVRERR 0.55
72 HRKRRRPRR 0.56
73 HRKRKREKR 0.56
74 RRKRRRPKR 0.57
75 DRKPVRDRR 0.57
76 HRKKKRERR 0.57
77 HRKKVRPKR 0.58
78 HRKRKRDKR 0.58
79 HRKKKRDRR 0.58
80 DRKKRRPKR 0.58
81 RRKKRRPRR 0.58
82 RRKKKREKR 0.58
83 RRKKKRDKR 0.6
84 HRKRRRERR 0.6
85 HRKRRRDRR 0.61
86 RRKRRREKR 0.62
87 RRKKRRERR 0.62
88 HRKRKRPRR 0.62
89 HRKKVREKR 0.62
90 DRKKRREKR 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRKPRRPRR

2.29

-8.39

-6.1
2 RRKPRRPKR

2.37

-7.54

-5.17
3 HRKPKRPRR

2.54

-7.64

-5.1
4 RRKPKREKR

2.31

-7.24

-4.93
5 RRKPRRDKR

2.62

-7.34

-4.72
6 HRKPVRDKR

2.16

-6.83

-4.67
7 HRKPVRPKR

2.65

-7.28

-4.63
8 RRKPRREKR

2.31

-6.81

-4.5
9 RRKPRRDRR

2.36

-6.53

-4.17
10 HRKPKRERR

3.07

-7.1

-4.03
11 RRKPKRPRR

3.22

-7.15

-3.93
12 HRKPKRDRR

2.74

-6.61

-3.87
13 RRKPKRDKR

2.78

-6.6

-3.82
14 DRKPRREKR

2.44

-6.24

-3.8
15 HRKPRREKR

2.74

-6.49

-3.75
16 DRKPRRPRR

2.31

-6.03

-3.72
17 DRKPRRPKR

2.02

-5.73

-3.71
18 HRKPVREKR

3.01

-6.65

-3.64
19 HRKPRRDKR

2.63

-6.21

-3.58
20 RRKPKRPKR

2.58

-6.15

-3.57
21 HRKPRRPRR

2.52

-6.04

-3.52
22 RRKPRRERR

2.88

-6.38

-3.5
23 HRKPRRPKR

2.16

-5.44

-3.28
24 DRKPKRPKR

2.55

-5.76

-3.21
25 DRKPRRDKR

2.29

-5.48

-3.19
26 HRKPKRPKR

2.37

-5.55

-3.18
27 HRKPRRDRR

3.03

-5.96

-2.93
28 HRKPKRDKR

2.32

-5.08

-2.76
29 HRKPKREKR

2.76

-5.46

-2.7
30 HRKPRRERR

2.32

-4.9

-2.58

 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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