Predicted ligand sequences


ADAN-name: 1TCE2.PDB (view again the scoring matrix)

PDB name: [1TCE.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G H D G L y Q G L S T A T K
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14
poly-Ala
G
A
A
G
A
y
A
G
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 35.289 ΔGbinding 2.130
TOTAL
 37.419
Backbone Hb -2.190 Cis_bond 0.000
Sidechain Hb -1.280 Torsional clash 3.030
Van der Waals -12.460 Backbone clash 1.860
Electrostatics -5.800 Helix dipole 0.000
Solvation Polar 18.780 Water bridges -1.570
Solvation Hyd -14.550 Disulfide 0.000
VdW clashes 7.400 Electrost. Kon -2.170
Entropy sc 4.170 Part.cov.bonds 0.000
Entropy mc

8.760

 ΔGstability

161.370
       

Predicted ligand sequences for template [1TCE2.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).
 
  1TCE2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RpDspGyGGGGGGH 0.0
2 RpDspGyGGGGGGR 0.0
3 RpDspGyGGGGGGK 0.01
4 RsDspGyGGGGGGH 0.05
5 RsDspGyGGGGGGR 0.05
6 RpEspGyGGGGGGH 0.05
7 RpEspGyGGGGGGR 0.05
8 KpDspGyGGGGGGH 0.05
9 KpDspGyGGGGGGR 0.05
10 RDDspGyGGGGGGR 0.06
11 RDDspGyGGGGGGH 0.06
12 RsDspGyGGGGGGK 0.06
13 RpEspGyGGGGGGK 0.06
14 KpDspGyGGGGGGK 0.06
15 RDDspGyGGGGGGK 0.07
16 ApDspGyGGGGGGH 0.07
17 ApDspGyGGGGGGR 0.07
18 RpDsGGyGGGGGGR 0.08
19 RpDsGGyGGGGGGH 0.08
20 ApDspGyGGGGGGK 0.08
21 RpDsGGyGGGGGGK 0.09
22 KpEspGyGGGGGGH 0.1
23 KpEspGyGGGGGGR 0.1
24 RsEspGyGGGGGGR 0.1
25 RsEspGyGGGGGGH 0.1
26 KsDspGyGGGGGGR 0.1
27 KsDspGyGGGGGGH 0.1
28 KpEspGyGGGGGGK 0.11
29 RsEspGyGGGGGGK 0.11
30 KsDspGyGGGGGGK 0.11
31 RDEspGyGGGGGGH 0.11
32 RDEspGyGGGGGGR 0.11
33 KDDspGyGGGGGGH 0.11
34 KDDspGyGGGGGGR 0.11
35 RpDsCGyGGGGGGH 0.12
36 RpDsCGyGGGGGGR 0.12
37 AsDspGyGGGGGGH 0.12
38 AsDspGyGGGGGGR 0.12
39 ApEspGyGGGGGGH 0.12
40 ApEspGyGGGGGGR 0.12
41 RDEspGyGGGGGGK 0.12
42 KDDspGyGGGGGGK 0.12
43 RpDsCGyGGGGGGK 0.13
44 KpDsGGyGGGGGGH 0.13
45 AsDspGyGGGGGGK 0.13
46 RsDsGGyGGGGGGR 0.13
47 RsDsGGyGGGGGGH 0.13
48 KpDsGGyGGGGGGR 0.13
49 ADDspGyGGGGGGH 0.13
50 ADDspGyGGGGGGR 0.13
51 ApEspGyGGGGGGK 0.13
52 RpEsGGyGGGGGGH 0.13
53 RpEsGGyGGGGGGR 0.13
54 KpDsGGyGGGGGGK 0.14
55 RpEsGGyGGGGGGK 0.14
56 RsDsGGyGGGGGGK 0.14
57 ADDspGyGGGGGGK 0.14
58 RDDsGGyGGGGGGR 0.14
59 RDDsGGyGGGGGGH 0.14
60 KsEspGyGGGGGGH 0.15
61 KsEspGyGGGGGGR 0.15
62 ApDsGGyGGGGGGR 0.15
63 ApDsGGyGGGGGGH 0.15
64 RDDsGGyGGGGGGK 0.15
65 KsEspGyGGGGGGK 0.16
66 ApDsGGyGGGGGGK 0.16
67 KDEspGyGGGGGGR 0.16
68 KDEspGyGGGGGGH 0.16
69 RsDsCGyGGGGGGR 0.17
70 RsDsCGyGGGGGGH 0.17
71 RpEsCGyGGGGGGH 0.17
72 RpEsCGyGGGGGGR 0.17
73 AsEspGyGGGGGGR 0.17
74 AsEspGyGGGGGGH 0.17
75 KpDsCGyGGGGGGH 0.17
76 KpDsCGyGGGGGGR 0.17
77 KDEspGyGGGGGGK 0.17
78 RsDsCGyGGGGGGK 0.18
79 RpEsCGyGGGGGGK 0.18
80 KsDsGGyGGGGGGR 0.18
81 KsDsGGyGGGGGGH 0.18
82 AsEspGyGGGGGGK 0.18
83 RsEsGGyGGGGGGR 0.18
84 RsEsGGyGGGGGGH 0.18
85 RpIspGyGGGGGGR 0.18
86 RpIspGyGGGGGGH 0.18
87 KpDsCGyGGGGGGK 0.18
88 KpEsGGyGGGGGGR 0.18
89 KpEsGGyGGGGGGH 0.18
90 ADEspGyGGGGGGH 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RDDspGyGGGGGGR

14.38

0.33

14.71
2 RpDsGGyGGGGGGH

15.0

-0.27

14.73
3 RpDsGGyGGGGGGR

14.27

0.54

14.81
4 KsDspGyGGGGGGK

13.94

0.92

14.86
5 RsEspGyGGGGGGK

13.96

1.03

14.99
6 RsDspGyGGGGGGR

14.34

0.82

15.16
7 RsEspGyGGGGGGH

14.76

0.4

15.16
8 RsEspGyGGGGGGR

14.01

1.25

15.26
9 RsDspGyGGGGGGH

14.29

1.08

15.37
10 RDDspGyGGGGGGK

14.79

0.6

15.39
11 RpDspGyGGGGGGK

13.93

1.46

15.39
12 KsDspGyGGGGGGH

14.01

1.42

15.43
13 ApDspGyGGGGGGH

14.53

0.91

15.44
14 KpEspGyGGGGGGR

14.28

1.24

15.52
15 ApDspGyGGGGGGR

14.04

1.49

15.53
16 KpEspGyGGGGGGK

14.09

1.55

15.64
17 RpDspGyGGGGGGH

14.77

0.99

15.76
18 KpDspGyGGGGGGR

14.49

1.31

15.8
19 RpDsGGyGGGGGGK

15.76

0.36

16.12
20 KpDspGyGGGGGGH

14.64

1.54

16.18
21 KsDspGyGGGGGGR

14.77

1.51

16.28
22 RpDspGyGGGGGGR

15.8

0.51

16.31
23 KpEspGyGGGGGGH

14.7

1.67

16.37
24 RsDspGyGGGGGGK

15.51

0.9

16.41
25 RDDspGyGGGGGGH

15.55

0.92

16.47
26 ApDspGyGGGGGGK

15.94

0.59

16.53
27 RpEspGyGGGGGGK

16.48

0.18

16.66
28 KpDspGyGGGGGGK

15.92

1.35

17.27
29 RpEspGyGGGGGGH

17.64

0.08

17.72
30 RpEspGyGGGGGGR

17.32

1.07

18.39

 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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