Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-5.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 4.082 ΔGbinding -0.469
TOTAL
 3.613
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.819
Van der Waals -5.471 Backbone clash 0.108
Electrostatics -0.433 Helix dipole 0.000
Solvation Polar 5.762 Water bridges 0.030
Solvation Hyd -7.923 Disulfide 0.000
VdW clashes 3.794 Electrost. Kon -0.545
Entropy sc 0.849 Part.cov.bonds 0.000
Entropy mc

2.924

 ΔGstability

85.053
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYRWPPWDHF 0.0
2 RYRWPPWEHF 0.12
3 HYRWPPWDHF 0.12
4 RYRWPPWPHF 0.13
5 FYRWPPWDHF 0.16
6 RYRWPPFDHF 0.17
7 HYRWPPWEHF 0.24
8 HYRWPPWPHF 0.25
9 RYRWRPWDHF 0.27
10 FYRWPPWEHF 0.28
11 RYRWPPFEHF 0.28
12 FYRWPPWPHF 0.29
13 HYRWPPFDHF 0.29
14 RYRWPPFPHF 0.3
15 RYRWKPWDHF 0.31
16 FYRWPPFDHF 0.33
17 RYRWPPWDLF 0.34
18 RYRWRPWEHF 0.39
19 RYRWRPWPHF 0.4
20 HYRWRPWDHF 0.4
21 HYRWPPFEHF 0.41
22 HYRWPPFPHF 0.42
23 RYRWKPWEHF 0.42
24 HYRWKPWDHF 0.43
25 RYRWRPFDHF 0.44
26 FYRWRPWDHF 0.44
27 RYRWKPWPHF 0.44
28 FYRWPPFEHF 0.45
29 RYRWPPWELF 0.46
30 FYRWPPFPHF 0.46
31 RYRWPPWPLF 0.47
32 HYRWPPWDLF 0.47
33 RYRWPPWDIF 0.47
34 FYRWKPWDHF 0.47
35 RYRWKPFDHF 0.48
36 HYRWRPWEHF 0.51
37 RYRWPPFDLF 0.51
38 FYRWPPWDLF 0.51
39 HYRWRPWPHF 0.52
40 HYRWKPWEHF 0.55
41 FYRWRPWEHF 0.55
42 HYRWRPFDHF 0.56
43 HYRWKPWPHF 0.56
44 RYRWRPFEHF 0.56
45 FYRWRPWPHF 0.56
46 RYRWRPFPHF 0.57
47 RYRWPPWEIF 0.58
48 HYRWPPWELF 0.58
49 FYRWKPWEHF 0.59
50 HYRWPPWDIF 0.59
51 RYRWKPFEHF 0.59
52 HYRWPPWPLF 0.6
53 RYRWPPWPIF 0.6
54 FYRWRPFDHF 0.6
55 FYRWKPWPHF 0.6
56 HYRWKPFDHF 0.6
57 RYRWRPWDLF 0.61
58 RYRWKPFPHF 0.61
59 FYRWPPWELF 0.62
60 RYRWPPFELF 0.63
61 FYRWPPWDIF 0.63
62 RYRWPPFDIF 0.64
63 RYRWPPFPLF 0.64
64 FYRWKPFDHF 0.64
65 FYRWPPWPLF 0.64
66 HYRWPPFDLF 0.64
67 RYRWKPWDLF 0.65
68 HYRWRPFEHF 0.68
69 FYRWPPFDLF 0.68
70 HYRWRPFPHF 0.69
71 HYRWPPWEIF 0.71
72 HYRWPPWPIF 0.72
73 HYRWKPFEHF 0.72
74 FYRWRPFEHF 0.72
75 FYRWRPFPHF 0.73
76 HYRWKPFPHF 0.73
77 RYRWRPWELF 0.73
78 RYRWRPWPLF 0.74
79 HYRWRPWDLF 0.74
80 RYRWRPWDIF 0.74
81 FYRWPPWEIF 0.75
82 HYRWPPFELF 0.75
83 RYRWPPFEIF 0.75
84 FYRWPPWPIF 0.76
85 HYRWPPFDIF 0.76
86 FYRWKPFEHF 0.76
87 FYRWKPFPHF 0.77
88 RYRWKPWELF 0.77
89 RYRWPPFPIF 0.77
90 HYRWPPFPLF 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RYRWKPWDHF

4.04

-14.27

-10.23
2 RYRWRPFDHF

4.2

-14.4

-10.2
3 RYRWRPWPHF

4.37

-14.11

-9.74
4 RYRWPPFEHF

4.35

-13.84

-9.49
5 RYRWPPWEHF

4.46

-13.82

-9.36
6 HYRWPPFDHF

3.88

-12.58

-8.7
7 RYRWRPWDHF

4.31

-12.52

-8.21
8 RYRWPPFPHF

4.22

-12.2

-7.98
9 HYRWPPWPHF

4.04

-11.98

-7.94
10 RYRWPPWELF

4.76

-12.6

-7.84
11 HYRWKPWDHF

5.21

-12.98

-7.77
12 HYRWPPFPHF

4.17

-11.86

-7.69
13 RYRWRPWEHF

4.65

-12.23

-7.58
14 FYRWPPWPHF

3.99

-11.54

-7.55
15 RYRWPPWPHF

4.45

-11.92

-7.47
16 HYRWPPWEHF

4.34

-11.76

-7.42
17 RYRWPPFDHF

4.6

-11.99

-7.39
18 RYRWKPWEHF

5.12

-12.45

-7.33
19 FYRWPPWDHF

4.29

-11.58

-7.29
20 FYRWPPFPHF

4.07

-11.32

-7.25
21 FYRWRPWDHF

4.42

-11.64

-7.22
22 HYRWPPWDHF

4.42

-11.52

-7.1
23 FYRWPPFDHF

4.33

-11.36

-7.03
24 RYRWPPWDHF

4.65

-11.58

-6.93
25 HYRWPPFEHF

5.38

-12.05

-6.67
26 FYRWPPWEHF

4.55

-10.86

-6.31
27 RYRWPPWDLF

4.99

-11.26

-6.27
28 RYRWKPWPHF

5.89

-12.06

-6.17
29 FYRWPPFEHF

5.03

-10.91

-5.88
30 HYRWRPWDHF

5.12

-10.92

-5.8

 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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