Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-20.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
G
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 2.903 ΔGbinding -2.455
TOTAL
 0.448
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.293
Van der Waals -4.605 Backbone clash 0.099
Electrostatics 0.607 Helix dipole 0.000
Solvation Polar 5.113 Water bridges -0.000
Solvation Hyd -6.412 Disulfide 0.000
VdW clashes 0.809 Electrost. Kon 0.587
Entropy sc 0.769 Part.cov.bonds 0.000
Entropy mc

2.934

 ΔGstability

50.725
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-20.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_G2B-ABO-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FDTTYGRMF 0.0
2 FDTTYGRKF 0.11
3 FDTTYGRMR 0.18
4 FDTRYGRMF 0.2
5 LDTTYGRMF 0.2
6 FDTTYGRKR 0.29
7 RDTTYGRMF 0.3
8 LDTTYGRKF 0.31
9 FDTRYGRKF 0.32
10 LDTTYGRMR 0.37
11 FDTRYGRMR 0.38
12 FWTTYGRMF 0.39
13 LDTRYGRMF 0.4
14 RDTTYGRKF 0.42
15 FDTTPGRMF 0.42
16 FDTTKGRMF 0.43
17 FDTTYGRMM 0.43
18 FDTPYGRMF 0.47
19 RDTTYGRMR 0.48
20 FDTRYGRKR 0.49
21 LDTTYGRKR 0.49
22 FWTTYGRKF 0.5
23 LDTRYGRKF 0.51
24 RDTRYGRMF 0.51
25 FDTTKGRKF 0.54
26 FDTTPGRKF 0.54
27 FDTTYGRKM 0.55
28 FWTTYGRMR 0.57
29 LDTRYGRMR 0.58
30 FDTPYGRKF 0.58
31 FWTRYGRMF 0.59
32 LWTTYGRMF 0.59
33 RDTTYGRKR 0.59
34 FDTTKGRMR 0.6
35 FDTTPGRMR 0.6
36 RDTRYGRKF 0.62
37 LDTTPGRMF 0.62
38 LDTTKGRMF 0.62
39 LDTTYGRMM 0.63
40 FDTRKGRMF 0.63
41 FDTRPGRMF 0.63
42 FDTRYGRMM 0.64
43 FDTPYGRMR 0.64
44 LDTPYGRMF 0.66
45 RDTRYGRMR 0.68
46 FWTTYGRKR 0.68
47 RWTTYGRMF 0.69
48 LDTRYGRKR 0.69
49 LWTTYGRKF 0.7
50 FWTRYGRKF 0.71
51 FDTTPGRKR 0.71
52 RDTTPGRMF 0.72
53 FDTTKGRKR 0.72
54 LDTTPGRKF 0.73
55 RDTTKGRMF 0.73
56 LDTTKGRKF 0.74
57 FDTRKGRKF 0.74
58 RDTTYGRMM 0.74
59 FDTRPGRKF 0.74
60 LDTTYGRKM 0.74
61 FDTRYGRKM 0.75
62 FDTPYGRKR 0.76
63 FWTRYGRMR 0.77
64 RDTPYGRMF 0.77
65 LWTTYGRMR 0.77
66 LDTPYGRKF 0.78
67 LWTRYGRMF 0.79
68 RDTRYGRKR 0.8
69 LDTTPGRMR 0.8
70 FDTRPGRMR 0.8
71 LDTTKGRMR 0.8
72 FWTTPGRMF 0.81
73 FDTRKGRMR 0.81
74 RWTTYGRKF 0.81
75 FWTTKGRMF 0.82
76 LDTRPGRMF 0.82
77 LDTRKGRMF 0.83
78 FWTTYGRMM 0.83
79 RDTTPGRKF 0.84
80 RDTTKGRKF 0.84
81 LDTPYGRMR 0.84
82 LDTRYGRMM 0.84
83 RDTTYGRKM 0.85
84 FDTTKGRMM 0.86
85 FDTTPGRMM 0.86
86 FWTPYGRMF 0.86
87 RWTTYGRMR 0.87
88 LWTTYGRKR 0.88
89 RDTPYGRKF 0.88
90 FWTRYGRKR 0.89
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FDTRYGRKF

3.92

-10.0

-6.08
2 RDTRYGRMF

4.09

-9.14

-5.05
3 LDTRYGRMR

3.83

-8.43

-4.6
4 FDTRYGRMR

3.91

-8.24

-4.33
5 FWTTYGRMR

2.96

-7.04

-4.08
6 LDTRYGRKF

4.16

-8.08

-3.92
7 FDTTKGRKF

2.85

-6.57

-3.72
8 FDTRYGRKR

3.71

-7.08

-3.37
9 LDTRYGRMF

3.75

-6.94

-3.19
10 FDTPYGRKF

3.44

-6.56

-3.12
11 FDTPYGRMF

3.5

-6.58

-3.08
12 FWTTYGRKF

3.64

-6.24

-2.6
13 FDTTYGRKM

3.59

-6.15

-2.56
14 FDTRYGRMF

3.46

-5.87

-2.41
15 RDTTYGRKF

3.47

-5.74

-2.27
16 FDTTYGRKF

3.31

-5.53

-2.22
17 LDTTYGRMR

3.44

-5.41

-1.97
18 FDTTYGRKR

3.64

-5.45

-1.81
19 FWTTYGRMF

3.57

-5.36

-1.79
20 RDTTYGRMR

3.52

-5.19

-1.67
21 FDTTPGRKF

3.15

-4.73

-1.58
22 LDTTYGRKR

3.55

-5.01

-1.46
23 LDTTYGRMF

3.43

-4.88

-1.45
24 FDTTYGRMR

3.72

-5.11

-1.39
25 FDTTYGRMF

3.65

-4.62

-0.97
26 FDTTYGRMM

3.06

-3.92

-0.86
27 LDTTYGRKF

3.7

-4.46

-0.76
28 RDTTYGRMF

3.67

-4.42

-0.75
29 FDTTKGRMF

3.53

-4.21

-0.68
30 FDTTPGRMF

2.9

-3.23

-0.33

 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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