Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-14.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 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 2.532 ΔGbinding -0.405
TOTAL
 2.127
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.188
Van der Waals -4.503 Backbone clash 0.137
Electrostatics 0.850 Helix dipole 0.000
Solvation Polar 5.728 Water bridges 0.000
Solvation Hyd -6.231 Disulfide 0.000
VdW clashes 0.646 Electrost. Kon 0.659
Entropy sc 0.836 Part.cov.bonds 0.000
Entropy mc

3.972

 ΔGstability

55.340
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFRIHKFR 0.0
2 RPFRIHKHR 0.05
3 RPPRIHKFR 0.06
4 RPYRIHKFR 0.08
5 RDFRIHKFR 0.09
6 RPPRIHKHR 0.1
7 RPYRIHKHR 0.12
8 RDFRIHKHR 0.13
9 RPFRVHKFR 0.14
10 RDPRIHKFR 0.14
11 RPFRIHWFR 0.15
12 RDYRIHKFR 0.16
13 RPFRIRKFR 0.16
14 RPFRIHIFR 0.17
15 RPFRVHKHR 0.18
16 RPPRVHKFR 0.19
17 RDPRIHKHR 0.19
18 RPFRIHWHR 0.2
19 RPYRVHKFR 0.21
20 RPPRIHWFR 0.21
21 RDYRIHKHR 0.21
22 RPFRIRKHR 0.21
23 RPPRIHIFR 0.22
24 RDFRVHKFR 0.22
25 RPFRIHIHR 0.22
26 RPPRIRKFR 0.22
27 RPFRIHKFM 0.23
28 RPYRIHWFR 0.23
29 RPYRIHIFR 0.24
30 RPPRVHKHR 0.24
31 RDFRIHWFR 0.24
32 RPYRIRKFR 0.24
33 RPFRRHKFR 0.24
34 RDFRIRKFR 0.25
35 RDFRIHIFR 0.26
36 RPYRVHKHR 0.26
37 RPPRIHWHR 0.26
38 RPPRIHIHR 0.27
39 RPPRIRKHR 0.27
40 RDFRVHKHR 0.27
41 RPYRIHWHR 0.28
42 RDPRVHKFR 0.28
43 RPFRIHKHM 0.28
44 RPYRIHIHR 0.29
45 RPFRVHWFR 0.29
46 RPFRRHKHR 0.29
47 RDFRIHWHR 0.29
48 RPPRIHKFM 0.29
49 RPYRIRKHR 0.29
50 RPFRVRKFR 0.3
51 RDYRVHKFR 0.3
52 RDPRIHWFR 0.3
53 RDFRIHIHR 0.3
54 RDFRIRKHR 0.3
55 RPPRRHKFR 0.3
56 RPFRIHKKR 0.3
57 RDPRIHIFR 0.31
58 RPFRVHIFR 0.31
59 RDPRIRKFR 0.31
60 RPYRIHKFM 0.31
61 RDYRIHWFR 0.32
62 RPYRRHKFR 0.32
63 RDFRIHKFM 0.32
64 RPFRIRWFR 0.32
65 RPFRIRIFR 0.33
66 RDFRRHKFR 0.33
67 RDPRVHKHR 0.33
68 RPPRIHKHM 0.33
69 RDYRIHIFR 0.33
70 RDYRIRKFR 0.33
71 RPFRVHWHR 0.34
72 RDPRIHWHR 0.34
73 RPPRRHKHR 0.34
74 RDPRIRKHR 0.35
75 RPFRVRKHR 0.35
76 RPPRVHWFR 0.35
77 RPFRVHIHR 0.35
78 RDYRVHKHR 0.35
79 RPYRIHKHM 0.35
80 RPFRIRWHR 0.36
81 RPPRIHKKR 0.36
82 RDPRIHIHR 0.36
83 RPPRVRKFR 0.36
84 RDFRIHKHM 0.36
85 RPPRVHIFR 0.36
86 RPYRRHKHR 0.36
87 RDYRIHWHR 0.36
88 RPFRVHKFM 0.37
89 RDPRIHKFM 0.37
90 RPPRIRWFR 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPFRIRKFR

3.02

-6.97

-3.95
2 RPPRVHKFR

1.96

-5.7

-3.74
3 RPPRIRKFR

2.31

-6.04

-3.73
4 RPPRVHKHR

2.2

-5.33

-3.13
5 RPFRVHKHR

3.08

-5.9

-2.82
6 RDPRIHKFR

2.62

-5.42

-2.8
7 RPPRIHWFR

1.99

-4.71

-2.72
8 RPFRIHKHR

2.54

-5.2

-2.66
9 RDFRIHKHR

3.34

-5.95

-2.61
10 RPFRIHIFR

2.28

-4.7

-2.42
11 RPPRIHKFR

3.38

-5.76

-2.38
12 RPPRIHKHR

2.28

-4.59

-2.31
13 RPYRVHKFR

2.48

-4.74

-2.26
14 RPFRIHKFM

2.27

-4.19

-1.92
15 RDYRIHKHR

3.61

-5.49

-1.88
16 RPFRVHKFR

2.62

-4.47

-1.85
17 RPYRIHWFR

1.85

-3.68

-1.83
18 RPFRIRKHR

2.47

-4.28

-1.81
19 RPPRIHIFR

2.37

-4.01

-1.64
20 RPYRIHKFR

2.58

-4.21

-1.63
21 RDPRIHKHR

2.75

-4.32

-1.57
22 RPYRIHIFR

2.67

-4.17

-1.5
23 RPFRIHWFR

4.03

-5.11

-1.08
24 RPFRIHWHR

3.22

-4.27

-1.05
25 RPFRIHIHR

2.94

-3.98

-1.04
26 RDYRIHKFR

2.38

-3.27

-0.89
27 RPFRIHKFR

3.33

-4.15

-0.82
28 RDFRIHKFR

3.35

-3.94

-0.59
29 RPYRIHKHR

2.97

-3.0

-0.03
30 RDFRVHKFR

3.86

-3.66

0.2

 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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