Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-27.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
 G 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    

(Help)

Intraclash 0.146 ΔGbinding 7.192
TOTAL
 7.338
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.136
Van der Waals -2.994 Backbone clash 0.057
Electrostatics -0.121 Helix dipole 0.000
Solvation Polar 3.673 Water bridges -0.000
Solvation Hyd -4.337 Disulfide 0.000
VdW clashes 10.255 Electrost. Kon -0.178
Entropy sc 1.041 Part.cov.bonds 0.000
Entropy mc

1.493

 ΔGstability

36.675
       

Predicted ligand sequences for model [BUD14_1CKA-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDRRMHRFR 0.0
2 RDWRMHRFR 0.1
3 RDRRMHRFK 0.1
4 RDRRMHRFW 0.12
5 RDRRMHRRR 0.13
6 RDPRMHRFR 0.15
7 RGRRMHRFR 0.17
8 RDRRMKRFR 0.18
9 RDRRMRRFR 0.18
10 RDWRMHRFK 0.2
11 RDWRMHRFW 0.23
12 RDRRMHRRK 0.24
13 RDWRMHRRR 0.24
14 RDPRMHRFK 0.25
15 RDRRMHRRW 0.26
16 RGRRMHRFK 0.27
17 RGWRMHRFR 0.27
18 RDWRMKRFR 0.28
19 RDPRMHRFW 0.28
20 RDRRMKRFK 0.28
21 RDRRMRRFK 0.28
22 RDWRMRRFR 0.28
23 RGRRMHRFW 0.29
24 RDPRMHRRR 0.29
25 RDRRMKRFW 0.3
26 RDRRMRRFW 0.3
27 RGRRMHRRR 0.3
28 RDRRMRRRR 0.31
29 RDRRMKRRR 0.31
30 RDRRMHRYR 0.31
31 RGPRMHRFR 0.32
32 RDPRMRRFR 0.33
33 RDPRMKRFR 0.33
34 RGRRMRRFR 0.34
35 RGRRMKRFR 0.34
36 RDWRMHRRK 0.34
37 RRRRMHRFR 0.35
38 RDWRMHRRW 0.36
39 RGWRMHRFK 0.37
40 RDWRMKRFK 0.38
41 RDWRMRRFK 0.38
42 RDPRMHRRK 0.39
43 RGWRMHRFW 0.39
44 RDWRMKRFW 0.4
45 RGWRMHRRR 0.4
46 RDWRMRRFW 0.4
47 RGRRMHRRK 0.4
48 RDRRMRRRK 0.41
49 RDRRMKRRK 0.41
50 RDRRMHRYK 0.41
51 RDWRMHRYR 0.41
52 RDWRMKRRR 0.41
53 RDPRMHRRW 0.41
54 RDWRMRRRR 0.41
55 RGPRMHRFK 0.42
56 RGRRMHRRW 0.42
57 RDRRMRRRW 0.43
58 RDRRMKRRW 0.43
59 RDPRMRRFK 0.43
60 RDPRMKRFK 0.43
61 RGPRMHRFW 0.44
62 RDRRMHRYW 0.44
63 RGRRMRRFK 0.44
64 RGRRMKRFK 0.44
65 RGWRMRRFR 0.44
66 RGWRMKRFR 0.44
67 RGPRMHRRR 0.45
68 RDPRMRRFW 0.45
69 RDPRMKRFW 0.45
70 RDPRMRRRR 0.46
71 RRWRMHRFR 0.46
72 RDPRMHRYR 0.46
73 RGRRMRRFW 0.46
74 RRRRMHRFK 0.46
75 RDPRMKRRR 0.46
76 RGRRMRRRR 0.47
77 RGRRMKRFW 0.47
78 RGRRMKRRR 0.48
79 RGRRMHRYR 0.48
80 RRRRMHRFW 0.48
81 RDRRMKRYR 0.49
82 RRRRMHRRR 0.49
83 RGPRMRRFR 0.49
84 RGPRMKRFR 0.49
85 RDRRMRRYR 0.49
86 RGWRMHRRK 0.5
87 RRPRMHRFR 0.51
88 RDWRMKRRK 0.52
89 RDWRMHRYK 0.52
90 RDWRMRRRK 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RDRRMKRRR

2.49

-5.08

-2.59
2 RDPRMHRFW

2.59

-4.97

-2.38
3 RDRRMKRFK

2.43

-4.43

-2.0
4 RDWRMRRFR

2.97

-4.91

-1.94
5 RDWRMKRFR

3.18

-4.7

-1.52
6 RDRRMHRRR

3.93

-5.39

-1.46
7 RDRRMKRFR

2.41

-3.72

-1.31
8 RGRRMHRFK

2.8

-3.94

-1.14
9 RDRRMHRRW

3.44

-4.57

-1.13
10 RDPRMHRFK

3.52

-4.64

-1.12
11 RDRRMKRFW

3.09

-4.2

-1.11
12 RDPRMHRRR

3.34

-4.44

-1.1
13 RDPRMHRFR

3.91

-4.92

-1.01
14 RDWRMHRFW

3.21

-3.94

-0.73
15 RDRRMHRFW

3.35

-3.93

-0.58
16 RDWRMHRRR

4.42

-4.9

-0.48
17 RDRRMHRYR

3.55

-4.02

-0.47
18 RDRRMRRFR

3.26

-3.72

-0.46
19 RGRRMHRFW

3.93

-4.35

-0.42
20 RDRRMHRRK

3.55

-3.87

-0.32
21 RDRRMHRFR

3.37

-3.67

-0.3
22 RDRRMRRFW

3.35

-3.5

-0.15
23 RDWRMHRFK

4.29

-4.38

-0.09
24 RGRRMHRFR

3.69

-3.7

-0.01
25 RGRRMHRRR

2.62

-2.47

0.15
26 RDRRMRRFK

2.53

-2.17

0.36
27 RDRRMRRRR

3.92

-3.23

0.69
28 RDRRMHRFK

4.76

-4.02

0.74
29 RDWRMHRFR

3.02

-2.23

0.79
30 RGWRMHRFR

5.93

-2.93

3.0

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER