Predicted ligand sequences


ADAN-name: 1ZUK3.PDB (view again the scoring matrix)

PDB name: [1ZUK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R G P A P P P P P H R
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
G
 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 1.517 ΔGbinding -10.890
TOTAL
 -9.373
Backbone Hb -1.980 Cis_bond 0.000
Sidechain Hb -2.160 Torsional clash 0.010
Van der Waals -7.240 Backbone clash 0.410
Electrostatics -2.450 Helix dipole 0.000
Solvation Polar 7.190 Water bridges -0.220
Solvation Hyd -9.130 Disulfide 0.000
VdW clashes 0.250 Electrost. Kon -1.550
Entropy sc 4.480 Part.cov.bonds 0.000
Entropy mc

1.900

 ΔGstability

-3.700
       

Predicted ligand sequences for template [1ZUK3.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).
 
  1ZUK3.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGRRPDKWDME 0.0
2 RGRRPDKWDMD 0.0
3 RGRRPDKWFME 0.04
4 RGRRPDKWFMD 0.04
5 RGRRPDKWCMD 0.04
6 RGRRPDKWCME 0.04
7 RGRRPFKWDME 0.04
8 RGRRPFKWDMD 0.04
9 RGRRPDKWDMF 0.05
10 RGRRPHKWDME 0.07
11 RGRRPHKWDMD 0.07
12 RGRRPDMWDME 0.07
13 RGRRPDMWDMD 0.07
14 RGRRPFKWFME 0.08
15 RGRRPFKWFMD 0.08
16 RRRRPDKWDMD 0.08
17 RRRRPDKWDME 0.08
18 RGRRPFKWCMD 0.08
19 RGRRPFKWCME 0.08
20 RGRRPDKWFMF 0.09
21 RGRRPDKWCMF 0.09
22 RGRRPDKWDEE 0.09
23 RGRRPDKWDED 0.09
24 RGRRPFKWDMF 0.09
25 RGRRPDMWFME 0.11
26 RGRRPDMWFMD 0.11
27 RGRRPDMWCMD 0.11
28 RGRRPDMWCME 0.11
29 RGRRPDPWDMD 0.11
30 RGRRPDPWDME 0.11
31 RGRRPHKWCMD 0.11
32 RGRRPHKWCME 0.11
33 RGRRPFMWDME 0.11
34 RGRRPFMWDMD 0.11
35 RGRRPHKWFME 0.11
36 RGRRPHKWFMD 0.11
37 RGRRPHKWDMF 0.12
38 RGRRPDKWDWE 0.12
39 RGRRPDKWDWD 0.12
40 RGRRPDMWDMF 0.12
41 RRRRPDKWCME 0.12
42 RRRRPDKWCMD 0.12
43 RRRRPFKWDMD 0.12
44 RRRRPFKWDME 0.12
45 RRRRPDKWFMD 0.12
46 RRRRPDKWFME 0.12
47 RGRRPHMWDME 0.13
48 RGRRPHMWDMD 0.13
49 RGRRPFKWDED 0.13
50 RGRRPFKWFMF 0.13
51 RGRRPDKWFEE 0.13
52 RGRRPDKWFED 0.13
53 RRRRPDKWDMF 0.13
54 RGRRPDKWCED 0.13
55 RGRRPDKWCEE 0.13
56 RGRRPFKWDEE 0.13
57 RGRRPFKWCMF 0.13
58 RRRRPDMWDMD 0.14
59 RRRRPDMWDME 0.14
60 RGRRPDPWCME 0.14
61 RGRRPDPWCMD 0.14
62 RGRRPDPWFMD 0.14
63 RGRRPDPWFME 0.14
64 RGRRPDKWDEF 0.14
65 RGRRPFMWCMD 0.15
66 RGRRPFMWCME 0.15
67 RGRRPFMWFME 0.15
68 RGRRPFMWFMD 0.15
69 RGRRPFPWDMD 0.15
70 RGRRPFPWDME 0.15
71 RRRRPHKWDMD 0.15
72 RRRRPHKWDME 0.15
73 RGRRPDMWFMF 0.16
74 RGRRPDMWCMF 0.16
75 RGRRPDPWDMF 0.16
76 RGRRPHKWDEE 0.16
77 RGRRPHKWDED 0.16
78 RRRRPFKWCME 0.16
79 RRRRPFKWCMD 0.16
80 RGRRPDKWCWD 0.16
81 RGRRPDKWCWE 0.16
82 RRRRPFKWFMD 0.16
83 RRRRPFKWFME 0.16
84 RGRRPHKWFMF 0.16
85 RGRRPDMWDEE 0.16
86 RGRRPDMWDED 0.16
87 RGRRPHKWCMF 0.16
88 RGRRPDKWFWE 0.16
89 RGRRPDKWFWD 0.16
90 RGRRPFMWDMF 0.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RGRRPDKWFME

2.36

-14.45

-12.09
2 RRRRPDKWDME

3.24

-14.95

-11.71
3 RGRRPHKWDME

3.69

-15.39

-11.7
4 RGRRPDMWFME

3.36

-14.89

-11.53
5 RGRRPDMWCME

2.63

-14.06

-11.43
6 RGRRPFKWCMD

2.12

-13.42

-11.3
7 RGRRPDKWCME

2.93

-13.56

-10.63
8 RGRRPDMWDME

1.86

-12.4

-10.54
9 RGRRPDKWDEE

3.18

-13.66

-10.48
10 RGRRPDKWDMD

3.32

-13.7

-10.38
11 RGRRPDKWFMF

3.1

-13.44

-10.34
12 RGRRPDMWDMD

3.06

-13.4

-10.34
13 RGRRPDKWDMF

2.46

-12.66

-10.2
14 RGRRPDKWDME

2.67

-12.85

-10.18
15 RGRRPFKWCME

2.52

-12.64

-10.12
16 RGRRPHKWDMD

2.44

-12.47

-10.03
17 RGRRPDMWCMD

2.61

-12.47

-9.86
18 RGRRPDKWFMD

2.31

-12.14

-9.83
19 RGRRPDKWDED

2.5

-12.24

-9.74
20 RGRRPFKWDME

2.36

-11.91

-9.55
21 RGRRPFKWDMD

3.91

-13.4

-9.49
22 RGRRPFKWDMF

3.08

-12.23

-9.15
23 RGRRPDMWFMD

2.93

-12.04

-9.11
24 RGRRPFKWFMD

2.6

-11.6

-9.0
25 RGRRPDPWDMD

2.43

-11.12

-8.69
26 RRRRPDKWDMD

3.16

-11.79

-8.63
27 RGRRPDKWCMD

2.57

-11.12

-8.55
28 RGRRPFKWFME

2.35

-10.74

-8.39
29 RGRRPDPWDME

2.52

-10.78

-8.26
30 RGRRPDKWCMF

4.33

-11.57

-7.24

 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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