Predicted ligand sequences


ADAN-name: 1UJ02.PDB (view again the scoring matrix)

PDB name: [1UJ0.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T P M V N R E N K
position 1 2 3 4 5 6 7 8 9
poly-Ala 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 0.652 ΔGbinding -10.630
TOTAL
 -9.978
Backbone Hb -0.270 Cis_bond 0.000
Sidechain Hb -7.140 Torsional clash 0.030
Van der Waals -8.580 Backbone clash 0.790
Electrostatics -3.400 Helix dipole 0.000
Solvation Polar 11.930 Water bridges -0.740
Solvation Hyd -10.780 Disulfide 0.000
VdW clashes 0.530 Electrost. Kon -1.350
Entropy sc 6.600 Part.cov.bonds 0.000
Entropy mc

2.550

 ΔGstability

2.830
       

Predicted ligand sequences for template [1UJ02.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).
 
  1UJ02.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRIPRHRR 0.0
2 RWRIPRHRR 0.02
3 RPKIPRHRR 0.04
4 RPSIPRHRR 0.05
5 RWKIPRHRR 0.06
6 RPRIPRRRR 0.07
7 RWSIPRHRR 0.07
8 RWRIPRRRR 0.09
9 RPKIPRRRR 0.11
10 RPSIPRRRR 0.12
11 RWKIPRRRR 0.13
12 RPRIKRHRR 0.13
13 RWSIPRRRR 0.14
14 RWRIKRHRR 0.15
15 RPRIWRHRR 0.17
16 RPRIPRIRR 0.17
17 RPKIKRHRR 0.17
18 RPSIKRHRR 0.18
19 RWRIWRHRR 0.18
20 RWRIPRIRR 0.19
21 RWKIKRHRR 0.19
22 RERIPRHRR 0.2
23 RPRIKRRRR 0.2
24 RWSIKRHRR 0.2
25 RPKIPRIRR 0.21
26 RPKIWRHRR 0.21
27 RWKIWRHRR 0.22
28 RPSIPRIRR 0.22
29 RWRIKRRRR 0.22
30 RPSIWRHRR 0.22
31 RWSIWRHRR 0.23
32 RWKIPRIRR 0.23
33 RPKIKRRRR 0.24
34 RWSIPRIRR 0.24
35 REKIPRHRR 0.24
36 RPRIWRRRR 0.24
37 RWRIWRRRR 0.25
38 RPSIKRRRR 0.25
39 RESIPRHRR 0.25
40 RWKIKRRRR 0.26
41 RWSIKRRRR 0.27
42 RERIPRRRR 0.27
43 RPKIWRRRR 0.28
44 RWKIWRRRR 0.29
45 RPSIWRRRR 0.29
46 RPRIKRIRR 0.3
47 RWSIWRRRR 0.3
48 REKIPRRRR 0.31
49 KPRIPRHRR 0.31
50 RWRIKRIRR 0.32
51 RESIPRRRR 0.32
52 KWRIPRHRR 0.33
53 RERIKRHRR 0.33
54 RPRIWRIRR 0.34
55 RPKIKRIRR 0.34
56 RPRIPRHLR 0.34
57 KPKIPRHRR 0.35
58 RPSIKRIRR 0.35
59 RWRIWRIRR 0.35
60 RWRIPRHLR 0.35
61 RWKIKRIRR 0.36
62 RERIWRHRR 0.36
63 KPSIPRHRR 0.36
64 KWKIPRHRR 0.37
65 RERIPRIRR 0.37
66 REKIKRHRR 0.37
67 RWSIKRIRR 0.37
68 KWSIPRHRR 0.38
69 RESIKRHRR 0.38
70 RPKIPRHLR 0.38
71 RPKIWRIRR 0.38
72 KPRIPRRRR 0.38
73 RPSIPRHLR 0.39
74 RWKIPRHLR 0.39
75 RWKIWRIRR 0.39
76 RPSIWRIRR 0.39
77 RWSIWRIRR 0.4
78 RWSIPRHLR 0.4
79 REKIWRHRR 0.4
80 RERIKRRRR 0.4
81 KWRIPRRRR 0.4
82 RESIWRHRR 0.41
83 RPRIPRHIR 0.41
84 RPRIPRRLR 0.41
85 REKIPRIRR 0.41
86 KPKIPRRRR 0.42
87 RWRIPRRLR 0.42
88 RWRIPRHIR 0.42
89 RESIPRIRR 0.42
90 KPSIPRRRR 0.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRIKRRRR

0.98

-14.11

-13.13
2 RPSIPRHRR

1.1

-14.09

-12.99
3 RPSIPRRRR

1.11

-14.08

-12.97
4 RPRIWRHRR

1.15

-13.77

-12.62
5 RWKIWRHRR

1.36

-13.94

-12.58
6 RPKIKRHRR

1.52

-13.82

-12.3
7 RPKIWRHRR

1.16

-13.23

-12.07
8 RPKIPRHRR

1.29

-13.24

-11.95
9 RWRIPRIRR

1.3

-13.18

-11.88
10 RWSIKRHRR

1.48

-13.3

-11.82
11 RWSIPRHRR

1.2

-12.99

-11.79
12 RPKIPRRRR

1.18

-12.83

-11.65
13 RWRIPRHRR

1.33

-12.97

-11.64
14 RPRIKRHRR

1.26

-12.58

-11.32
15 RWRIKRRRR

1.34

-12.53

-11.19
16 RPRIPRIRR

1.21

-12.32

-11.11
17 RPSIWRHRR

1.27

-12.35

-11.08
18 RWRIWRHRR

1.26

-12.34

-11.08
19 RPRIPRRRR

1.21

-12.17

-10.96
20 RWKIPRHRR

1.43

-12.16

-10.73
21 RWKIPRRRR

1.32

-12.02

-10.7
22 RPRIPRHRR

0.86

-11.49

-10.63
23 RWKIKRHRR

1.15

-11.62

-10.47
24 RPSIKRHRR

0.99

-11.38

-10.39
25 RWSIPRRRR

1.22

-11.6

-10.38
26 RWRIKRHRR

1.3

-11.49

-10.19
27 RERIPRHRR

1.25

-11.42

-10.17
28 RPSIPRIRR

1.07

-11.22

-10.15
29 RWRIPRRRR

1.18

-10.97

-9.79
30 RPKIPRIRR

1.43

-11.16

-9.73

 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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