Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-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 4.117 ΔGbinding -5.204
TOTAL
 -1.087
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.229
Van der Waals -4.647 Backbone clash 0.128
Electrostatics -0.549 Helix dipole 0.000
Solvation Polar 5.284 Water bridges -0.012
Solvation Hyd -6.535 Disulfide 0.000
VdW clashes 0.102 Electrost. Kon -0.611
Entropy sc 0.977 Part.cov.bonds 0.000
Entropy mc

2.109

 ΔGstability

79.554
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-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).
 
  BZZ1-D1_G2B-ABO-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 LRRKRWPDDY 0.0
2 LRRKRWPRDY 0.06
3 FRRKRWPDDY 0.08
4 RRRKRWPDDY 0.13
5 FRRKRWPRDY 0.14
6 RRRKRWPRDY 0.2
7 LRRKRWPKDY 0.23
8 FRRKRWPKDY 0.3
9 WRRKRWPDDY 0.32
10 LRRKPWPDDY 0.32
11 LRRKKWPDDY 0.32
12 RRRKRWPKDY 0.36
13 LRRKPWPRDY 0.38
14 LRRKHWPDDY 0.38
15 WRRKRWPRDY 0.38
16 LRRKKWPRDY 0.38
17 FRRKPWPDDY 0.39
18 LRRKRWPPDY 0.4
19 FRRKKWPDDY 0.4
20 LRRKRWPSDY 0.4
21 LRRKDWPDDY 0.43
22 LRRKHWPRDY 0.44
23 FRRKHWPDDY 0.45
24 RRRKPWPDDY 0.45
25 RRRKKWPDDY 0.45
26 FRRKPWPRDY 0.46
27 FRRKKWPRDY 0.46
28 FRRKRWPSDY 0.47
29 FRRKRWPPDY 0.47
30 LRRKDWPRDY 0.5
31 FRRKDWPDDY 0.51
32 RRRKHWPDDY 0.51
33 RRRKPWPRDY 0.51
34 RRRKKWPRDY 0.52
35 FRRKHWPRDY 0.52
36 RRRKRWPSDY 0.53
37 RRRKRWPPDY 0.53
38 LRRKKWPKDY 0.55
39 LRRKPWPKDY 0.55
40 WRRKRWPKDY 0.55
41 RRRKHWPRDY 0.57
42 FRRKDWPRDY 0.57
43 RRRKDWPDDY 0.57
44 LRRKHWPKDY 0.6
45 FRRKPWPKDY 0.62
46 FRRKKWPKDY 0.63
47 RRRKDWPRDY 0.63
48 WRRKPWPDDY 0.64
49 WRRKKWPDDY 0.64
50 LRRKDWPKDY 0.66
51 RRRKKWPKDY 0.68
52 FRRKHWPKDY 0.68
53 RRRKPWPKDY 0.68
54 WRRKHWPDDY 0.7
55 WRRKKWPRDY 0.7
56 WRRKPWPRDY 0.7
57 LRRKPWPPDY 0.71
58 LRRKPWPSDY 0.72
59 LRRKKWPPDY 0.72
60 WRRKRWPPDY 0.72
61 LRRKKWPSDY 0.72
62 WRRKRWPSDY 0.72
63 FRRKDWPKDY 0.74
64 RRRKHWPKDY 0.74
65 WRRKHWPRDY 0.76
66 WRRKDWPDDY 0.76
67 LRRKHWPSDY 0.77
68 LRRKHWPPDY 0.77
69 FRRKPWPSDY 0.79
70 FRRKKWPPDY 0.79
71 FRRKPWPPDY 0.79
72 FRRKKWPSDY 0.8
73 RRRKDWPKDY 0.8
74 WRRKDWPRDY 0.82
75 LRRKDWPPDY 0.83
76 LRRKDWPSDY 0.83
77 FRRKHWPSDY 0.85
78 RRRKKWPSDY 0.85
79 FRRKHWPPDY 0.85
80 RRRKPWPPDY 0.85
81 RRRKKWPPDY 0.85
82 RRRKPWPSDY 0.85
83 WRRKKWPKDY 0.87
84 WRRKPWPKDY 0.87
85 FRRKDWPPDY 0.91
86 RRRKHWPSDY 0.91
87 RRRKHWPPDY 0.91
88 FRRKDWPSDY 0.91
89 WRRKHWPKDY 0.92
90 RRRKDWPPDY 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRKRWPKDY

3.32

-15.61

-12.29
2 RRRKKWPDDY

3.06

-14.64

-11.58
3 FRRKKWPDDY

4.27

-15.47

-11.2
4 RRRKRWPDDY

5.15

-16.32

-11.17
5 FRRKPWPDDY

4.43

-15.38

-10.95
6 LRRKRWPRDY

3.57

-14.45

-10.88
7 FRRKRWPPDY

3.5

-14.34

-10.84
8 FRRKRWPKDY

3.05

-13.77

-10.72
9 LRRKRWPDDY

3.01

-13.64

-10.63
10 RRRKRWPRDY

3.67

-14.26

-10.59
11 WRRKRWPRDY

3.58

-13.94

-10.36
12 FRRKRWPDDY

5.92

-16.09

-10.17
13 LRRKKWPDDY

3.49

-13.51

-10.02
14 LRRKHWPDDY

4.68

-14.54

-9.86
15 LRRKHWPRDY

4.13

-13.98

-9.85
16 LRRKDWPDDY

3.96

-13.76

-9.8
17 FRRKRWPSDY

5.11

-14.9

-9.79
18 LRRKRWPKDY

3.66

-13.33

-9.67
19 RRRKPWPDDY

4.26

-13.9

-9.64
20 FRRKHWPDDY

4.29

-13.76

-9.47
21 WRRKRWPDDY

4.3

-13.74

-9.44
22 LRRKDWPRDY

3.47

-12.61

-9.14
23 LRRKPWPDDY

4.37

-13.32

-8.95
24 LRRKRWPSDY

4.59

-13.48

-8.89
25 FRRKKWPRDY

4.06

-12.88

-8.82
26 FRRKPWPRDY

4.6

-13.23

-8.63
27 LRRKRWPPDY

4.02

-12.57

-8.55
28 LRRKPWPRDY

5.16

-13.38

-8.22
29 FRRKRWPRDY

5.6

-13.7

-8.1
30 LRRKKWPRDY

4.35

-12.4

-8.05

 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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