Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-12.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 1.756 ΔGbinding -0.803
TOTAL
 0.953
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.276
Van der Waals -1.660 Backbone clash 0.000
Electrostatics 0.232 Helix dipole 0.000
Solvation Polar 1.700 Water bridges -0.134
Solvation Hyd -2.400 Disulfide 0.000
VdW clashes 0.006 Electrost. Kon 0.249
Entropy sc 0.088 Part.cov.bonds 0.000
Entropy mc

0.839

 ΔGstability

81.300
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWFRRLHK 0.0
2 REFRRLHK 0.05
3 RWIRRLHK 0.06
4 RWFRRLHR 0.06
5 RWFRKLHK 0.08
6 RWFRHLHK 0.1
7 REFRRLHR 0.1
8 REIRRLHK 0.11
9 RWFRPLHK 0.12
10 RWIRRLHR 0.12
11 REFRKLHK 0.13
12 RWFRKLHR 0.14
13 REFRHLHK 0.15
14 RWIRKLHK 0.15
15 RMFRRLHK 0.15
16 REIRRLHR 0.16
17 RWFRHLHR 0.16
18 REFRPLHK 0.16
19 RWIRHLHK 0.17
20 RWFRPLHR 0.17
21 RWIRPLHK 0.18
22 REFRKLHR 0.18
23 REIRKLHK 0.19
24 RWIRKLHR 0.2
25 RMFRRLHR 0.2
26 REIRHLHK 0.21
27 RMIRRLHK 0.21
28 REFRHLHR 0.21
29 RWIRHLHR 0.22
30 REFRPLHR 0.22
31 REIRPLHK 0.23
32 RWIRPLHR 0.23
33 RMFRKLHK 0.23
34 RMFRHLHK 0.25
35 REIRKLHR 0.25
36 REIRHLHR 0.27
37 RMIRRLHR 0.27
38 RMFRPLHK 0.27
39 REIRPLHR 0.28
40 RMIRKLHK 0.29
41 RMFRKLHR 0.29
42 RMFRHLHR 0.31
43 RFFRRLHK 0.31
44 RMFRPLHR 0.32
45 RMIRHLHK 0.32
46 RMIRPLHK 0.33
47 RMIRKLHR 0.35
48 RMIRHLHR 0.37
49 RFFRRLHR 0.37
50 RMIRPLHR 0.38
51 RFIRRLHK 0.38
52 RFFRKLHK 0.4
53 RFFRHLHK 0.42
54 RFIRRLHR 0.43
55 RFFRPLHK 0.43
56 RFFRKLHR 0.45
57 RFIRKLHK 0.46
58 RFFRHLHR 0.47
59 RWFRRLHH 0.47
60 RFIRHLHK 0.48
61 RFFRPLHR 0.48
62 RFIRPLHK 0.49
63 RFIRKLHR 0.51
64 REFRRLHH 0.52
65 RFIRHLHR 0.54
66 RWIRRLHH 0.54
67 RFIRPLHR 0.55
68 RWFRKLHH 0.56
69 REIRRLHH 0.58
70 RWFRHLHH 0.58
71 RWFRPLHH 0.59
72 REFRKLHH 0.6
73 RWIRKLHH 0.62
74 RMFRRLHH 0.62
75 REFRHLHH 0.63
76 RWIRHLHH 0.64
77 REFRPLHH 0.64
78 RWIRPLHH 0.65
79 REIRKLHH 0.67
80 RMIRRLHH 0.68
81 REIRHLHH 0.69
82 REIRPLHH 0.7
83 RMFRKLHH 0.7
84 RMFRHLHH 0.73
85 RMFRPLHH 0.74
86 RMIRKLHH 0.77
87 RMIRHLHH 0.79
88 RFFRRLHH 0.79
89 RMIRPLHH 0.8
90 RFIRRLHH 0.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 REFRRLHK

1.82

-9.03

-7.21
2 RMFRRLHK

2.05

-8.96

-6.91
3 REFRPLHK

2.4

-8.83

-6.43
4 REIRRLHK

2.03

-8.45

-6.42
5 RWFRPLHR

2.04

-8.11

-6.07
6 REIRKLHK

2.05

-8.01

-5.96
7 REFRPLHR

2.64

-8.59

-5.95
8 RMIRRLHK

2.6

-8.52

-5.92
9 REFRRLHR

1.8

-7.5

-5.7
10 RWIRKLHR

2.86

-8.31

-5.45
11 RWFRRLHK

1.85

-7.01

-5.16
12 RWIRRLHR

2.23

-7.36

-5.13
13 REFRKLHR

1.86

-6.99

-5.13
14 REIRRLHR

2.45

-7.39

-4.94
15 REFRKLHK

1.82

-6.75

-4.93
16 REFRHLHR

2.12

-6.94

-4.82
17 RMFRRLHR

1.84

-6.56

-4.72
18 RWFRRLHR

2.01

-6.64

-4.63
19 RWFRHLHK

1.93

-6.56

-4.63
20 RWIRRLHK

2.44

-6.96

-4.52
21 RWFRKLHR

1.71

-6.22

-4.51
22 RWFRHLHR

1.86

-6.3

-4.44
23 RWIRKLHK

1.99

-6.39

-4.4
24 RWIRHLHK

2.15

-6.54

-4.39
25 REFRHLHK

1.86

-6.14

-4.28
26 RWFRKLHK

1.73

-5.96

-4.23
27 RWIRHLHR

2.72

-6.82

-4.1
28 REIRHLHK

2.48

-6.55

-4.07
29 RWIRPLHK

2.78

-6.68

-3.9
30 RWFRPLHK

2.14

-5.66

-3.52

 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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