Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-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 8.292 ΔGbinding -2.884
TOTAL
 5.408
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.128
Van der Waals -4.255 Backbone clash 0.103
Electrostatics 0.106 Helix dipole 0.000
Solvation Polar 4.876 Water bridges -0.006
Solvation Hyd -6.200 Disulfide 0.000
VdW clashes 1.363 Electrost. Kon 0.290
Entropy sc 0.589 Part.cov.bonds 0.000
Entropy mc

3.277

 ΔGstability

38.671
       

Predicted ligand sequences for model [BUD14_1CKA-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).
 
  BUD14_1CKA-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 LRFFWGRWF 0.0
2 LRYFWGRWF 0.01
3 LRPFWGRWF 0.04
4 FRFFWGRWF 0.07
5 FRYFWGRWF 0.08
6 LRHFWGRWF 0.1
7 LRFFWGRKF 0.1
8 FRPFWGRWF 0.11
9 LRYFWGRKF 0.11
10 LRPFWGRKF 0.15
11 FRFFWGRKF 0.17
12 FRHFWGRWF 0.17
13 FRYFWGRKF 0.18
14 LRFFWGWWF 0.2
15 LRHFWGRKF 0.2
16 LRYFWGWWF 0.21
17 FRPFWGRKF 0.22
18 LRFFWGRNF 0.23
19 LRPFWGWWF 0.24
20 LRYFWGRNF 0.25
21 FRHFWGRKF 0.27
22 LRFFWGEWF 0.27
23 FRFFWGWWF 0.27
24 LRPFWGRNF 0.28
25 LRYFWGEWF 0.28
26 LRFFWGQWF 0.28
27 FRYFWGWWF 0.28
28 LRYFWGQWF 0.29
29 FRFFWGRNF 0.3
30 LRHFWGWWF 0.3
31 LRFFWGWKF 0.3
32 LRPFWGEWF 0.31
33 MRFFWGRWF 0.31
34 FRYFWGRNF 0.31
35 FRPFWGWWF 0.31
36 LRYFWGWKF 0.31
37 LRPFWGQWF 0.32
38 MRYFWGRWF 0.32
39 LRHFWGRNF 0.34
40 LRPFWGWKF 0.34
41 FRFFWGEWF 0.34
42 LRFFWGRRF 0.34
43 FRPFWGRNF 0.35
44 FRYFWGEWF 0.35
45 FRFFWGQWF 0.35
46 LRYFWGRRF 0.35
47 FRYFWGQWF 0.36
48 MRPFWGRWF 0.36
49 FRFFWGWKF 0.37
50 LRFFWGEKF 0.37
51 FRHFWGWWF 0.37
52 LRHFWGEWF 0.37
53 FRPFWGEWF 0.38
54 LRYFWGEKF 0.38
55 FRYFWGWKF 0.38
56 LRPFWGRRF 0.38
57 LRFFWGQKF 0.38
58 LRHFWGQWF 0.38
59 IRFFWGRWF 0.39
60 LRYFWGQKF 0.39
61 FRPFWGQWF 0.39
62 IRYFWGRWF 0.4
63 LRHFWGWKF 0.4
64 FRFFWGRRF 0.4
65 FRHFWGRNF 0.4
66 FRPFWGWKF 0.41
67 FRYFWGRRF 0.41
68 MRHFWGRWF 0.41
69 MRFFWGRKF 0.41
70 MRYFWGRKF 0.42
71 LRPFWGEKF 0.42
72 LRPFWGQKF 0.42
73 LRFFWGWNF 0.43
74 FRHFWGEWF 0.44
75 LRHFWGRRF 0.44
76 FRFFWGEKF 0.44
77 LRYFWGWNF 0.44
78 IRPFWGRWF 0.44
79 FRFFWGQKF 0.45
80 FRYFWGEKF 0.45
81 FRHFWGQWF 0.45
82 FRPFWGRRF 0.45
83 MRPFWGRKF 0.46
84 FRYFWGQKF 0.46
85 LRHFWGEKF 0.47
86 FRHFWGWKF 0.47
87 LRHFWGQKF 0.48
88 LRPFWGWNF 0.48
89 FRPFWGEKF 0.48
90 FRPFWGQKF 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 LRPFWGRKF

3.33

-11.55

-8.22
2 LRYFWGRKF

3.32

-11.3

-7.98
3 LRYFWGRNF

3.19

-11.15

-7.96
4 FRYFWGRKF

3.36

-11.31

-7.95
5 LRPFWGRNF

3.28

-11.16

-7.88
6 LRFFWGWWF

3.07

-10.89

-7.82
7 LRFFWGRKF

3.48

-11.26

-7.78
8 FRHFWGRKF

4.25

-12.02

-7.77
9 FRPFWGRKF

3.5

-11.24

-7.74
10 LRYFWGQWF

3.23

-10.95

-7.72
11 LRHFWGRWF

3.53

-11.21

-7.68
12 LRFFWGQWF

3.18

-10.74

-7.56
13 FRFFWGRNF

3.58

-11.12

-7.54
14 LRFFWGEWF

3.21

-10.74

-7.53
15 FRFFWGRKF

3.61

-11.13

-7.52
16 LRHFWGRKF

3.26

-10.73

-7.47
17 LRPFWGRWF

3.16

-10.52

-7.36
18 LRYFWGEWF

3.52

-10.87

-7.35
19 FRYFWGRWF

3.33

-10.68

-7.35
20 LRYFWGWWF

3.2

-10.49

-7.29
21 LRFFWGRNF

3.35

-10.59

-7.24
22 LRFFWGRWF

3.66

-10.77

-7.11
23 LRHFWGWWF

3.38

-10.39

-7.01
24 FRPFWGRWF

3.46

-10.37

-6.91
25 FRFFWGRWF

3.49

-10.32

-6.83
26 LRYFWGRWF

3.38

-10.09

-6.71
27 LRPFWGWWF

3.4

-10.11

-6.71
28 FRHFWGRWF

3.27

-9.97

-6.7
29 FRFFWGWWF

3.37

-10.02

-6.65
30 FRYFWGWWF

3.58

-10.22

-6.64

 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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