Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-10.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 5.466 ΔGbinding 0.081
TOTAL
 5.547
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.863
Van der Waals -3.897 Backbone clash 0.035
Electrostatics 0.294 Helix dipole 0.000
Solvation Polar 4.351 Water bridges 0.034
Solvation Hyd -5.235 Disulfide 0.000
VdW clashes 2.091 Electrost. Kon 0.354
Entropy sc 0.441 Part.cov.bonds 0.000
Entropy mc

2.060

 ΔGstability

85.149
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-10.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-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRCPRR 0.0
2 RPKRCPRR 0.03
3 RPRRCPRH 0.07
4 RPRRCPRK 0.07
5 RPERCPRR 0.09
6 RPKRCPRK 0.1
7 RPKRCPRH 0.1
8 RPRRCFRR 0.14
9 MPRRCPRR 0.15
10 RPERCPRH 0.16
11 RPERCPRK 0.16
12 RPKRCFRR 0.17
13 RHRRCPRR 0.17
14 MPKRCPRR 0.18
15 RPRRCRRR 0.19
16 RHKRCPRR 0.2
17 RPRRCFRK 0.21
18 RPRRCFRH 0.21
19 RPKRCRRR 0.22
20 MPRRCPRH 0.23
21 MPRRCPRK 0.23
22 RPERCFRR 0.23
23 RHRRCPRK 0.24
24 RPKRCFRH 0.24
25 RPKRCFRK 0.24
26 MPERCPRR 0.25
27 RHRRCPRH 0.25
28 RPRRCRRK 0.26
29 MPKRCPRH 0.26
30 MPKRCPRK 0.26
31 RHERCPRR 0.27
32 RPRRCRRH 0.27
33 RHKRCPRK 0.28
34 RHKRCPRH 0.28
35 RPERCRRR 0.28
36 RPKRCRRK 0.29
37 RPERCFRK 0.3
38 RPERCFRH 0.3
39 RPKRCRRH 0.3
40 MPRRCFRR 0.3
41 MPERCPRH 0.32
42 MPERCPRK 0.32
43 RPRRSPRR 0.32
44 RHRRCFRR 0.32
45 MPKRCFRR 0.33
46 MHRRCPRR 0.33
47 RHKRCFRR 0.34
48 RHERCPRH 0.34
49 RHERCPRK 0.34
50 RPKRSPRR 0.35
51 MPRRCRRR 0.35
52 RPERCRRK 0.35
53 MHKRCPRR 0.36
54 RPERCRRH 0.36
55 RHRRCRRR 0.37
56 MPRRCFRK 0.37
57 MPRRCFRH 0.37
58 MPKRCRRR 0.38
59 RPRRSPRH 0.39
60 RPRRSPRK 0.39
61 MPERCFRR 0.39
62 RHRRCFRK 0.39
63 RHRRCFRH 0.39
64 RHKRCRRR 0.4
65 MPKRCFRH 0.4
66 MPKRCFRK 0.4
67 MHRRCPRH 0.4
68 MHRRCPRK 0.4
69 RHKRCFRK 0.41
70 RPERSPRR 0.41
71 RHERCFRR 0.41
72 RHKRCFRH 0.42
73 RPKRSPRH 0.42
74 MPRRCRRK 0.42
75 MPRRCRRH 0.42
76 RPKRSPRK 0.42
77 MHERCPRR 0.42
78 MHKRCPRK 0.43
79 MHKRCPRH 0.43
80 MPERCRRR 0.44
81 RHRRCRRK 0.44
82 RHRRCRRH 0.44
83 MPKRCRRH 0.45
84 MPKRCRRK 0.45
85 MPERCFRK 0.46
86 MPERCFRH 0.46
87 RHERCRRR 0.46
88 RPRRSFRR 0.46
89 RHKRCRRH 0.47
90 RHKRCRRK 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPRRCPRH

2.08

-6.7

-4.62
2 MPRRCPRR

2.67

-7.21

-4.54
3 RPRRCRRR

2.58

-6.92

-4.34
4 RPKRCFRH

2.61

-6.9

-4.29
5 RPRRCPRH

2.36

-6.6

-4.24
6 RPKRCPRR

1.81

-6.01

-4.2
7 RPKRCFRR

2.26

-6.38

-4.12
8 RPKRCPRK

2.91

-6.98

-4.07
9 RHRRCPRR

2.82

-6.86

-4.04
10 MPKRCPRR

2.97

-6.95

-3.98
11 RPERCPRR

3.25

-7.2

-3.95
12 RPRRCRRK

2.83

-6.76

-3.93
13 RPRRCPRR

3.17

-7.07

-3.9
14 RPERCPRH

2.27

-6.17

-3.9
15 RPERCFRR

2.81

-6.69

-3.88
16 RPRRCFRH

2.36

-6.21

-3.85
17 MPRRCPRK

2.71

-6.47

-3.76
18 RHKRCPRR

3.2

-6.93

-3.73
19 RHRRCPRK

3.08

-6.63

-3.55
20 RHRRCPRH

2.33

-5.83

-3.5
21 RPKRCRRR

3.4

-6.86

-3.46
22 RPKRCPRH

2.35

-5.81

-3.46
23 MPKRCPRH

2.29

-5.74

-3.45
24 MPKRCPRK

2.9

-6.29

-3.39
25 RPRRCFRK

2.77

-5.96

-3.19
26 RPRRCFRR

3.21

-6.19

-2.98
27 RPERCPRK

3.07

-6.05

-2.98
28 MPERCPRR

3.04

-5.99

-2.95
29 RPKRCFRK

3.05

-5.69

-2.64
30 RPRRCPRK

3.26

-5.85

-2.59

 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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