Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-20.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 2.892 ΔGbinding 0.534
TOTAL
 3.426
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.237
Van der Waals -3.727 Backbone clash 0.146
Electrostatics 0.399 Helix dipole 0.000
Solvation Polar 4.024 Water bridges 0.025
Solvation Hyd -4.998 Disulfide 0.000
VdW clashes 2.076 Electrost. Kon 0.316
Entropy sc 0.596 Part.cov.bonds 0.000
Entropy mc

2.861

 ΔGstability

19.373
       

Predicted ligand sequences for model [BZZ1-D2_2A28-20.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_2A28-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFVRRRRY 0.0
2 RRKVRRRRY 0.03
3 RRRVRRRRY 0.04
4 RRPVRRRRY 0.04
5 RRFKRRRRY 0.12
6 RRWVRRRRY 0.12
7 RRRKRRRRY 0.16
8 RRKKRRRRY 0.16
9 RRPKRRRRY 0.17
10 RRWKRRRRY 0.25
11 RRFVRRRRR 0.38
12 RRFRRRRRY 0.39
13 RRRVRRRRR 0.42
14 RRKVRRRRR 0.42
15 RRKRRRRRY 0.42
16 RRPRRRRRY 0.43
17 RRPVRRRRR 0.43
18 RRRRRRRRY 0.43
19 RRFKRRRRR 0.51
20 RRWVRRRRR 0.51
21 RRWRRRRRY 0.52
22 RRRKRRRRR 0.54
23 RRKKRRRRR 0.54
24 RRPKRRRRR 0.55
25 RPFVRRRRY 0.58
26 RDFVRRRRY 0.6
27 RPKVRRRRY 0.61
28 RPPVRRRRY 0.62
29 RPRVRRRRY 0.62
30 RDRVRRRRY 0.63
31 RDKVRRRRY 0.63
32 RRWKRRRRR 0.63
33 RDPVRRRRY 0.64
34 RPFKRRRRY 0.7
35 RPWVRRRRY 0.71
36 RDFKRRRRY 0.72
37 RDWVRRRRY 0.72
38 RPKKRRRRY 0.74
39 RPRKRRRRY 0.74
40 RDKKRRRRY 0.75
41 RPPKRRRRY 0.75
42 RDRKRRRRY 0.76
43 RDPKRRRRY 0.77
44 RRFRRRRRR 0.77
45 RRKRRRRRR 0.81
46 RRRRRRRRR 0.81
47 RRPRRRRRR 0.82
48 RPWKRRRRY 0.83
49 RDWKRRRRY 0.85
50 RRWRRRRRR 0.9
51 RPFVRRRRR 0.96
52 RPFRRRRRY 0.97
53 RDFVRRRRR 0.98
54 RDFRRRRRY 0.99
55 RPKVRRRRR 1.0
56 RPKRRRRRY 1.0
57 RPRVRRRRR 1.0
58 RPPVRRRRR 1.01
59 RDKVRRRRR 1.01
60 RPRRRRRRY 1.01
61 RDRVRRRRR 1.02
62 RDPVRRRRR 1.02
63 RPPRRRRRY 1.02
64 RDKRRRRRY 1.02
65 RDRRRRRRY 1.02
66 RDPRRRRRY 1.03
67 RPFKRRRRR 1.09
68 RPWVRRRRR 1.09
69 RDFKRRRRR 1.1
70 RPWRRRRRY 1.1
71 RDWVRRRRR 1.11
72 RDWRRRRRY 1.11
73 RPKKRRRRR 1.12
74 RPRKRRRRR 1.12
75 RPPKRRRRR 1.13
76 RDKKRRRRR 1.14
77 RDRKRRRRR 1.14
78 RDPKRRRRR 1.15
79 RPWKRRRRR 1.21
80 RDWKRRRRR 1.23
81 RPFRRRRRR 1.35
82 RDFRRRRRR 1.37
83 RPRRRRRRR 1.39
84 RPKRRRRRR 1.39
85 RPPRRRRRR 1.4
86 RDKRRRRRR 1.4
87 RDRRRRRRR 1.41
88 RDPRRRRRR 1.42
89 RPWRRRRRR 1.48
90 RDWRRRRRR 1.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRKVRRRRR

4.6

-10.68

-6.08
2 RPPVRRRRY

4.74

-10.71

-5.97
3 RRRVRRRRR

5.02

-10.93

-5.91
4 RRKVRRRRY

5.17

-10.58

-5.41
5 RPFVRRRRY

4.91

-10.01

-5.1
6 RPRVRRRRY

4.68

-9.76

-5.08
7 RRWVRRRRR

4.58

-9.65

-5.07
8 RRFVRRRRY

4.88

-9.75

-4.87
9 RRWRRRRRY

4.78

-9.58

-4.8
10 RRRRRRRRY

5.02

-9.74

-4.72
11 RRPVRRRRY

4.73

-9.28

-4.55
12 RRPRRRRRY

4.65

-8.88

-4.23
13 RRWVRRRRY

4.56

-8.51

-3.95
14 RRKKRRRRY

4.95

-8.87

-3.92
15 RRPKRRRRR

5.13

-8.95

-3.82
16 RRPVRRRRR

5.03

-8.82

-3.79
17 RRFVRRRRR

4.78

-8.4

-3.62
18 RPKVRRRRY

4.19

-7.73

-3.54
19 RDRVRRRRY

4.44

-7.98

-3.54
20 RRFRRRRRY

6.02

-9.55

-3.53
21 RRWKRRRRY

4.86

-8.27

-3.41
22 RRRKRRRRY

5.41

-8.73

-3.32
23 RRKRRRRRY

4.53

-7.69

-3.16
24 RRRVRRRRY

4.71

-7.75

-3.04
25 RRRKRRRRR

4.7

-7.73

-3.03
26 RRPKRRRRY

4.8

-7.58

-2.78
27 RDFVRRRRY

4.74

-7.52

-2.78
28 RRFKRRRRR

5.27

-7.73

-2.46
29 RRFKRRRRY

4.63

-7.01

-2.38
30 RRKKRRRRR

5.65

-7.15

-1.5

 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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