Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-9.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 5.292 ΔGbinding -1.346
TOTAL
 3.946
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.388
Van der Waals -2.835 Backbone clash 0.014
Electrostatics 0.243 Helix dipole 0.000
Solvation Polar 2.519 Water bridges -0.015
Solvation Hyd -4.268 Disulfide 0.000
VdW clashes 0.018 Electrost. Kon 0.303
Entropy sc 0.152 Part.cov.bonds 0.000
Entropy mc

2.150

 ΔGstability

33.136
       

Predicted ligand sequences for model [BUD14_1CKB-9.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_1CKB-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFWPPHR 0.0
2 RRFWPPWR 0.16
3 RRFWPPLR 0.16
4 RRYWPPHR 0.19
5 RRFMPPHR 0.24
6 RRPWPPHR 0.3
7 RRFWPEHR 0.31
8 RRFWPDHR 0.32
9 RRYWPPLR 0.35
10 RRYWPPWR 0.35
11 RRFIPPHR 0.36
12 RRFMPPWR 0.4
13 RRFMPPLR 0.4
14 MRFWPPHR 0.43
15 RRYMPPHR 0.43
16 RRPWPPWR 0.46
17 RRPWPPLR 0.46
18 RRFWPEWR 0.47
19 RRFWPELR 0.47
20 RRFWPDLR 0.48
21 RRFWPDWR 0.48
22 RRYWPEHR 0.5
23 RRYWPDHR 0.51
24 RRFIPPLR 0.52
25 RRFIPPWR 0.52
26 RRYIPPHR 0.54
27 RRPMPPHR 0.54
28 RRFMPEHR 0.55
29 RRFMPDHR 0.56
30 MRFWPPLR 0.59
31 RRYMPPWR 0.59
32 RRYMPPLR 0.59
33 MRFWPPWR 0.59
34 RRPWPEHR 0.61
35 MRYWPPHR 0.62
36 RRPWPDHR 0.62
37 RRYWPEWR 0.66
38 RRYWPELR 0.66
39 RRPIPPHR 0.66
40 RRYWPDLR 0.67
41 RRFIPEHR 0.67
42 RRYWPDWR 0.67
43 MRFMPPHR 0.67
44 RRFIPDHR 0.68
45 RRPMPPLR 0.7
46 RRYIPPWR 0.7
47 RRYIPPLR 0.7
48 RRPMPPWR 0.7
49 RRFMPEWR 0.71
50 RRFMPELR 0.71
51 RRFMPDWR 0.72
52 RRFMPDLR 0.72
53 MRPWPPHR 0.73
54 RRYMPEHR 0.74
55 MRFWPEHR 0.74
56 RRYMPDHR 0.75
57 MRFWPDHR 0.75
58 RRPWPELR 0.77
59 RRPWPEWR 0.77
60 MRYWPPWR 0.78
61 RRPWPDWR 0.78
62 MRYWPPLR 0.78
63 RRPWPDLR 0.78
64 MRFIPPHR 0.79
65 RRPIPPWR 0.82
66 RRPIPPLR 0.82
67 RRFIPEWR 0.82
68 RRFIPDWR 0.83
69 MRFMPPWR 0.83
70 MRFMPPLR 0.83
71 RRFIPELR 0.83
72 RRFIPDLR 0.84
73 RRPMPEHR 0.85
74 RRYIPEHR 0.85
75 RRPMPDHR 0.86
76 RRYIPDHR 0.86
77 MRYMPPHR 0.86
78 MRPWPPWR 0.89
79 MRFWPELR 0.9
80 RRYMPELR 0.9
81 MRPWPPLR 0.9
82 RRYMPEWR 0.9
83 MRFWPEWR 0.9
84 MRFWPDWR 0.91
85 RRYMPDLR 0.91
86 RRYMPDWR 0.91
87 MRFWPDLR 0.91
88 MRYWPEHR 0.93
89 MRYWPDHR 0.94
90 MRFIPPWR 0.95
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFMPEHR

1.75

-7.89

-6.14
2 RRFWPPHR

2.79

-8.87

-6.08
3 RRFIPPHR

2.65

-8.65

-6.0
4 RRPWPPHR

2.32

-8.29

-5.97
5 MRFWPPLR

3.27

-9.22

-5.95
6 RRYWPDHR

1.74

-7.69

-5.95
7 RRPWPPLR

3.58

-9.42

-5.84
8 RRPMPPHR

3.03

-8.85

-5.82
9 RRFMPPWR

3.91

-9.6

-5.69
10 RRYMPPHR

1.62

-7.3

-5.68
11 RRYWPPLR

3.51

-9.14

-5.63
12 RRFWPDHR

2.35

-7.97

-5.62
13 RRFWPPLR

3.38

-8.94

-5.56
14 RRFIPPWR

3.82

-9.33

-5.51
15 RRFWPELR

3.81

-9.31

-5.5
16 RRFMPDHR

2.83

-8.31

-5.48
17 RRFMPPHR

2.63

-8.03

-5.4
18 RRFMPPLR

3.51

-8.86

-5.35
19 RRFWPEHR

1.76

-7.06

-5.3
20 RRFWPDWR

3.98

-8.75

-4.77
21 RRFWPDLR

3.98

-8.73

-4.75
22 MRFWPPHR

2.12

-6.83

-4.71
23 RRFIPPLR

3.48

-8.19

-4.71
24 RRYIPPHR

2.98

-7.67

-4.69
25 RRFWPEWR

4.44

-9.11

-4.67
26 RRFWPPWR

3.73

-8.39

-4.66
27 RRYWPPHR

1.78

-6.35

-4.57
28 RRYWPPWR

3.91

-8.42

-4.51
29 RRPWPPWR

4.64

-8.9

-4.26
30 RRYWPEHR

2.44

-6.48

-4.04

 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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