Predicted ligand sequences


ADAN-name: 1EE52.PDB (view again the scoring matrix)

PDB name: [1EE5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A V K R P A A T K K A G Q A K K K K L
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19
poly-Ala
A
 A
A
A
A
A
 A
A
A
A
 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    

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Intraclash 9.237 ΔGbinding -30.928
TOTAL
 -21.691
Backbone Hb -10.700 Cis_bond 0.000
Sidechain Hb -19.512 Torsional clash 1.361
Van der Waals -23.366 Backbone clash 1.862
Electrostatics -9.339 Helix dipole -0.086
Solvation Polar 39.737 Water bridges -0.510
Solvation Hyd -26.937 Disulfide 0.000
VdW clashes 2.131 Electrost. Kon -3.466
Entropy sc 8.923 Part.cov.bonds 0.000
Entropy mc

10.838

 ΔGstability

1.428
       

Predicted ligand sequences for template [1EE52.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).
 
  1EE52.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFKRWMYWWRMGKWKRRMY 0.0
2 RFKRWMYWWRMGKDKRRMY 0.02
3 RFKRWMYWWRMGKWRRRMY 0.03
4 RFKRWMYWWRsGKWKRRMY 0.03
5 RWKRWMYWWRMGKWKRRMY 0.03
6 RFKRWMYWWRMGKDRRRMY 0.04
7 RWKRWMYWWRMGKDKRRMY 0.05
8 RFKRWMYWWRsGKDKRRMY 0.05
9 RWKRWMYWWRMGKWRRRMY 0.06
10 RFKRWMYWWRMGKWKRRMW 0.06
11 RWKRWMYWWRsGKWKRRMY 0.06
12 RFKRWMYWWRsGKWRRRMY 0.06
13 RFKRWMYWWRsGKDRRRMY 0.07
14 RWKRWMYWWRMGKDRRRMY 0.07
15 RFKRWMYWWRMGKWRRRMW 0.08
16 RFKRWMYWWRMGKDKRRMW 0.08
17 RFKRWMRWWRMGKWKRRMY 0.08
18 RWKRWMYWWRsGKDKRRMY 0.08
19 RFKRWMYWWRsGKWKRRMW 0.09
20 RWKRWMYWWRsGKWRRRMY 0.09
21 RFKRWMRWWRMGKDKRRMY 0.09
22 RWKRWMYWWRMGKWKRRMW 0.09
23 RFKRWMRWWRMGKWRRRMY 0.1
24 RFKRWMYWWRMGKDRRRMW 0.1
25 RWKRWMYWWRMGKWRRRMW 0.11
26 RWKRWMYWWRMGKDKRRMW 0.11
27 RWKRWMYWWRsGKDRRRMY 0.11
28 RFKRWMRWWRsGKWKRRMY 0.11
29 RFKRWMYWWRsGKDKRRMW 0.11
30 RFKRWMYWWRsGKWRRRMW 0.11
31 RWKRWMRWWRMGKWKRRMY 0.11
32 RWKRWMYWWRsGKWKRRMW 0.12
33 RFKRWMRWWRMGKDRRRMY 0.12
34 RFKRWMRWWRsGKDKRRMY 0.13
35 RWKRWMRWWRMGKDKRRMY 0.13
36 RFKRWMYWWRsGKDRRRMW 0.13
37 RFKRWMRWWRsGKWRRRMY 0.13
38 RWKRWMYWWRMGKDRRRMW 0.13
39 RWKRWMRWWRMGKWRRRMY 0.13
40 RFKRWMRWWRMGKWKRRMW 0.13
41 RWKRWMRWWRsGKWKRRMY 0.14
42 RFKRWMYWWRMGKWKKRMY 0.14
43 RWKRWMYWWRsGKWRRRMW 0.14
44 RWKRWMYWWRsGKDKRRMW 0.14
45 RWKRWMRWWRMGKDRRRMY 0.15
46 RFKRWMRWWRsGKDRRRMY 0.15
47 RFKRWMRWWRMGKDKRRMW 0.15
48 RFKRWMRWWRMGKWRRRMW 0.16
49 RWKRWMYWWRsGKDRRRMW 0.16
50 RWKRWMRWWRsGKDKRRMY 0.16
51 RWKRWMRWWRsGKWRRRMY 0.16
52 RFKRWMYWWRMGKWRKRMY 0.16
53 RFKRWMWWWRMGKWKRRMY 0.16
54 RFKRWMYWWRMGKRKRRMY 0.16
55 RFKRWMYWWRMGKDKKRMY 0.16
56 RFKRWMYWWRsGKWKKRMY 0.17
57 RWKRWMYWWRMGKWKKRMY 0.17
58 RWKRWMRWWRMGKWKRRMW 0.17
59 RFKRWMRWWRsGKWKRRMW 0.17
60 RFKRWMRWWRsGKDKRRMW 0.18
61 RWKRWMRWWRMGKDKRRMW 0.18
62 RFKRWMRWWRMGKDRRRMW 0.18
63 RWKRWMRWWRsGKDRRRMY 0.18
64 RFKRWMYWWRMGKRRRRMY 0.18
65 RFKRWMWWWRMGKDKRRMY 0.18
66 RFKRWMYWWRMGKDRKRMY 0.18
67 RFKRWMYWWRsGKRKRRMY 0.19
68 RFKRWMRWWRsGKWRRRMW 0.19
69 RWKRWMRWWRMGKWRRRMW 0.19
70 RWKRWMYWWRMGKDKKRMY 0.19
71 RWKRWMYWWRMGKRKRRMY 0.19
72 RFKRWMYWWRsGKDKKRMY 0.19
73 RFKRWMWWWRMGKWRRRMY 0.19
74 RYKRWMYWWRMGKWKRRMY 0.19
75 RWKRWMRWWRsGKWKRRMW 0.2
76 RWKRWMYWWRsGKWKKRMY 0.2
77 RWKRWMYWWRMGKWRKRMY 0.2
78 RFKRWMYWWRMGKWKKRMW 0.2
79 RFKRWMYWWRsGKWRKRMY 0.2
80 RWKRWMWWWRMGKWKRRMY 0.2
81 RFKRWMWWWRsGKWKRRMY 0.2
82 RWKRWMRWWRMGKDRRRMW 0.21
83 RFKRWMRWWRsGKDRRRMW 0.21
84 RWKRWMYWWRMGKDRKRMY 0.21
85 RFKRWMYWWRsGKDRKRMY 0.21
86 RWKRWMRWWRsGKDKRRMW 0.21
87 RFKRWMWWWRsGKDKRRMY 0.21
88 RYKRWMYWWRMGKDKRRMY 0.21
89 RWKRWMWWWRMGKDKRRMY 0.21
90 RFKRWMWWWRMGKDRRRMY 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RFKRWMYWWRMGKWKRRMY

10.39

-45.52

-35.13
2 RFKRWMRWWRMGKDKRRMY

11.05

-45.49

-34.44
3 RWKRWMYWWRsGKWKRRMY

10.83

-44.23

-33.4
4 RWKRWMYWWRMGKWKRRMW

12.34

-45.58

-33.24
5 RFKRWMYWWRsGKDKRRMY

12.44

-45.46

-33.02
6 RWKRWMYWWRMGKWKRRMY

12.63

-44.83

-32.2
7 RFKRWMYWWRMGKDKRRMW

12.78

-44.69

-31.91
8 RFKRWMYWWRsGKWKRRMW

12.08

-42.79

-30.71
9 RFKRWMRWWRsGKWKRRMY

13.28

-43.92

-30.64
10 RFKRWMRWWRMGKWKRRMY

13.59

-43.97

-30.38
11 RFKRWMYWWRsGKDKRRMW

12.57

-42.52

-29.95
12 RFKRWMRWWRMGKWRRRMY

12.42

-42.35

-29.93
13 RFKRWMYWWRsGKWKRRMY

14.13

-43.92

-29.79
14 RFKRWMYWWRMGKWKRRMW

12.62

-42.39

-29.77
15 RWKRWMYWWRsGKDKRRMY

12.45

-41.64

-29.19
16 RFKRWMYWWRMGKDKRRMY

12.21

-41.34

-29.13
17 RFKRWMYWWRMGKDRRRMY

12.69

-41.29

-28.6
18 RWKRWMYWWRMGKDKRRMY

12.57

-40.9

-28.33
19 RFKRWMYWWRsGKWRRRMW

10.39

-38.59

-28.2
20 RFKRWMYWWRMGKWRRRMY

11.62

-39.36

-27.74
21 RFKRWMYWWRsGKDRRRMY

13.99

-41.63

-27.64
22 RFKRWMYWWRMGKDRRRMW

11.11

-38.61

-27.5
23 RWKRWMYWWRMGKDKRRMW

12.18

-39.57

-27.39
24 RWKRWMYWWRsGKDRRRMY

9.85

-37.01

-27.16
25 RWKRWMYWWRMGKDRRRMY

10.03

-36.98

-26.95
26 RFKRWMYWWRsGKWRRRMY

11.99

-38.1

-26.11
27 RWKRWMYWWRMGKWRRRMY

12.97

-38.56

-25.59
28 RWKRWMYWWRsGKWRRRMY

12.78

-37.53

-24.75
29 RWKRWMYWWRMGKWRRRMW

13.15

-33.66

-20.51
30 RFKRWMYWWRMGKWRRRMW

14.82

-34.33

-19.51

 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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