Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-1.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 10
poly-Ala
A
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 2.004 ΔGbinding -1.053
TOTAL
 0.951
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.217
Van der Waals -4.314 Backbone clash 0.093
Electrostatics -0.275 Helix dipole 0.000
Solvation Polar 4.339 Water bridges -0.022
Solvation Hyd -6.172 Disulfide 0.000
VdW clashes 2.699 Electrost. Kon -0.306
Entropy sc 0.920 Part.cov.bonds 0.000
Entropy mc

2.135

 ΔGstability

17.427
       

Predicted ligand sequences for model [BZZ1-D2_2A28-1.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_2A28-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RLRRDLRRRW 0.0
2 RLRRDFRRRW 0.03
3 RKRRDLRRRW 0.05
4 RLRRDKRRRW 0.05
5 RKRRDFRRRW 0.08
6 RKRRDKRRRW 0.1
7 RLRRDLVRRW 0.14
8 RLRRDFVRRW 0.16
9 RLRRPLRRRW 0.16
10 RLRRPFRRRW 0.18
11 RLSRDLRRRW 0.18
12 RLRRDKVRRW 0.19
13 RKRRDLVRRW 0.19
14 RLRRPKRRRW 0.21
15 RKRRPLRRRW 0.21
16 RLLRDLRRRW 0.21
17 RLSRDFRRRW 0.21
18 RKRRDFVRRW 0.22
19 RKRRPFRRRW 0.23
20 RLSRDKRRRW 0.23
21 RKSRDLRRRW 0.23
22 RLLRDFRRRW 0.24
23 RKRRDKVRRW 0.24
24 RKSRDFRRRW 0.26
25 RKRRPKRRRW 0.26
26 RLLRDKRRRW 0.26
27 RKLRDLRRRW 0.27
28 RKSRDKRRRW 0.28
29 RLRRPLVRRW 0.29
30 RKLRDFRRRW 0.29
31 RLRRHLRRRW 0.31
32 RKLRDKRRRW 0.32
33 RLSRDLVRRW 0.32
34 RLRRPFVRRW 0.32
35 RLRRHFRRRW 0.33
36 RLSRDFVRRW 0.34
37 RLSRPLRRRW 0.34
38 RLRRPKVRRW 0.35
39 RKRRPLVRRW 0.35
40 RLLRDLVRRW 0.35
41 RLSRPFRRRW 0.36
42 RKRRHLRRRW 0.36
43 RLRRDLRRRH 0.36
44 RLRRHKRRRW 0.36
45 RLSRDKVRRW 0.37
46 RKSRDLVRRW 0.37
47 RLLRPLRRRW 0.37
48 RLRRDLRKRW 0.37
49 RKRRPFVRRW 0.37
50 RLLRDFVRRW 0.38
51 RLRRDFRRRH 0.38
52 RKSRPLRRRW 0.39
53 RLRRDFRKRW 0.39
54 RLSRPKRRRW 0.39
55 RLLRPFRRRW 0.39
56 RKRRHFRRRW 0.39
57 RKRRPKVRRW 0.4
58 RKSRDFVRRW 0.4
59 RLLRDKVRRW 0.4
60 RKLRDLVRRW 0.4
61 RKRRDLRRRH 0.41
62 RKRRHKRRRW 0.41
63 RLRRDKRRRH 0.41
64 RLRRDLKRRW 0.41
65 RLRRDKRKRW 0.42
66 RKLRPLRRRW 0.42
67 RKRRDLRKRW 0.42
68 RKSRDKVRRW 0.42
69 RKSRPFRRRW 0.42
70 RLLRPKRRRW 0.42
71 RLRRDLRRIW 0.43
72 RKLRDFVRRW 0.43
73 RLRRDFKRRW 0.43
74 RKRRDFRRRH 0.44
75 RKSRPKRRRW 0.44
76 RLRRHLVRRW 0.45
77 RKLRPFRRRW 0.45
78 RKRRDFRKRW 0.45
79 RLRRDKKRRW 0.46
80 RKRRDLKRRW 0.46
81 RKRRDKRRRH 0.46
82 RLRRDFRRIW 0.46
83 RKLRDKVRRW 0.46
84 RLRRHFVRRW 0.47
85 RLSRPLVRRW 0.47
86 RKRRDKRKRW 0.47
87 RKLRPKRRRW 0.47
88 RKRRDFKRRW 0.48
89 RLSRHLRRRW 0.49
90 RKRRDLRRIW 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RLRRDLRRRW

2.88

-14.3

-11.42
2 RLRRPLRRRW

2.86

-14.21

-11.35
3 RLRRDLVRRW

2.97

-14.31

-11.34
4 RLRRDFVRRW

3.06

-14.04

-10.98
5 RLRRDKRRRW

2.84

-13.34

-10.5
6 RLLRDLRRRW

2.76

-13.16

-10.4
7 RLRRDKVRRW

3.15

-13.47

-10.32
8 RKRRDLVRRW

3.15

-13.26

-10.11
9 RLRRDFRRRW

3.46

-13.52

-10.06
10 RKRRDLRRRW

3.23

-13.25

-10.02
11 RLRRPLVRRW

3.14

-13.15

-10.01
12 RLLRDKRRRW

2.98

-12.96

-9.98
13 RLRRPFRRRW

2.72

-12.18

-9.46
14 RKRRDFRRRW

3.7

-13.14

-9.44
15 RLRRPKRRRW

2.73

-12.09

-9.36
16 RLSRDKRRRW

2.71

-12.06

-9.35
17 RLSRDLRRRW

2.87

-12.14

-9.27
18 RKRRDKRRRW

3.28

-12.26

-8.98
19 RKRRDFVRRW

3.46

-12.43

-8.97
20 RLLRDFRRRW

3.13

-11.85

-8.72
21 RKRRDKVRRW

3.12

-11.71

-8.59
22 RKRRPFRRRW

3.24

-11.55

-8.31
23 RKRRPLRRRW

3.28

-11.54

-8.26
24 RKSRDLRRRW

3.23

-11.31

-8.08
25 RLSRDFRRRW

3.55

-11.48

-7.93
26 RKSRDKRRRW

2.99

-10.6

-7.61
27 RKRRPKRRRW

3.26

-10.7

-7.44
28 RKSRDFRRRW

3.05

-10.15

-7.1
29 RKLRDLRRRW

3.85

-10.8

-6.95
30 RKLRDFRRRW

3.45

-10.2

-6.75

 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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