Predicted ligand sequences


ADAN-name: 1JU52.PDB (view again the scoring matrix)

PDB name: [1JU5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E P G P y A Q P S V N T K
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
A
A
G
 A
y
 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 13.114 ΔGbinding -6.960
TOTAL
 6.154
Backbone Hb -0.990 Cis_bond 0.000
Sidechain Hb -4.970 Torsional clash 0.300
Van der Waals -6.160 Backbone clash 0.330
Electrostatics -3.280 Helix dipole 0.000
Solvation Polar 9.310 Water bridges -0.460
Solvation Hyd -7.620 Disulfide 0.000
VdW clashes 0.950 Electrost. Kon -1.730
Entropy sc 3.440 Part.cov.bonds 0.000
Entropy mc

4.240

 ΔGstability

318.770
       

Predicted ligand sequences for template [1JU52.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).
 
  1JU52.PDB  

(data)
# Predicted Sequences Value Calculate
1 CHpKyGGAyGHRE 0.0
2 CHpKyGGAyGHRF 0.0
3 CHpKyGGAyGHRH 0.0
4 CKpKyGGAyGHRE 0.0
5 CKpKyGGAyGHRF 0.0
6 CKpKyGGAyGHRH 0.0
7 DKpKyGGAyGHRF 0.0
8 DKpKyGGAyGHRH 0.0
9 DKpKyGGAyGHRE 0.0
10 DRpKyGGAyGHRE 0.0
11 DRpKyGGAyGHRF 0.0
12 DRpKyGGAyGHRH 0.0
13 EHpKyGGAyGHRE 0.0
14 EHpKyGGAyGHRH 0.0
15 EHpKyGGAyGHRF 0.0
16 ERpKyGGAyGHRH 0.0
17 ERpKyGGAyGHRE 0.0
18 ERpKyGGAyGHRF 0.0
19 CRpKyGGAyGHRH 0.0
20 CRpKyGGAyGHRF 0.0
21 CRpKyGGAyGHRE 0.0
22 EKpKyGGAyGHRF 0.0
23 EKpKyGGAyGHRE 0.0
24 EKpKyGGAyGHRH 0.0
25 DHpKyGGAyGHRF 0.0
26 DHpKyGGAyGHRE 0.0
27 DHpKyGGAyGHRH 0.0
28 EKpRyGGAyGHRE 0.02
29 EKpKyGGAyGHHF 0.02
30 EKpKyGGAyGHHH 0.02
31 DKpKyGGAyGHHH 0.02
32 EKpKyGGAyGHHE 0.02
33 DHpKyGGAyGHHF 0.02
34 DRpRyGGAyGHRF 0.02
35 DRpRyGGAyGHRE 0.02
36 CHpRyGGAyGHRF 0.02
37 CHpRyGGAyGHRE 0.02
38 CHpRyGGAyGHRH 0.02
39 CHpKyGGAyGHHH 0.02
40 CHpKyGGAyGHHF 0.02
41 CHpKyGGAyGHHE 0.02
42 DKpKyGGAyGHHF 0.02
43 DHpKyGGAyGHHE 0.02
44 DHpKyGGAyGHHH 0.02
45 EHpKyGGAyGHHH 0.02
46 EHpKyGGAyGHHE 0.02
47 EHpKyGGAyGHHF 0.02
48 DRpKyGGAyGHHH 0.02
49 EHpRyGGAyGHRH 0.02
50 EHpRyGGAyGHRE 0.02
51 EHpRyGGAyGHRF 0.02
52 DRpRyGGAyGHRH 0.02
53 EKpRyGGAyGHRH 0.02
54 CKpRyGGAyGHRF 0.02
55 CKpRyGGAyGHRH 0.02
56 EKpRyGGAyGHRF 0.02
57 CRpRyGGAyGHRH 0.02
58 CRpRyGGAyGHRE 0.02
59 CRpRyGGAyGHRF 0.02
60 CKpRyGGAyGHRE 0.02
61 DKpRyGGAyGHRH 0.02
62 DKpRyGGAyGHRE 0.02
63 DKpRyGGAyGHRF 0.02
64 DKpKyGGAyGHHE 0.02
65 DHpRyGGAyGHRE 0.02
66 DHpRyGGAyGHRF 0.02
67 DHpRyGGAyGHRH 0.02
68 CRpKyGGAyGHHH 0.02
69 CRpKyGGAyGHHE 0.02
70 ERpRyGGAyGHRH 0.02
71 ERpRyGGAyGHRF 0.02
72 ERpKyGGAyGHHH 0.02
73 ERpKyGGAyGHHF 0.02
74 ERpKyGGAyGHHE 0.02
75 CRpKyGGAyGHHF 0.02
76 DRpKyGGAyGHHF 0.02
77 DRpKyGGAyGHHE 0.02
78 ERpRyGGAyGHRE 0.02
79 CKpKyGGAyGHHF 0.02
80 CKpKyGGAyGHHE 0.02
81 CKpKyGGAyGHHH 0.02
82 CRpKyGGAyGHKE 0.03
83 CRpKyGGAyGHKF 0.03
84 CRpKyGGAyGHKH 0.03
85 DRpKyGGAyGHKF 0.03
86 DRpKyGGAyGHKE 0.03
87 DRpKyGGAyGHKH 0.03
88 DKpKyGGAyGHKF 0.03
89 DHpKyGGAyGHKF 0.03
90 CHpKyGGAyGHKH 0.03
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EKpKyGGAyGHHH

9.89

-7.48

2.41
2 DKpKyGGAyGHRF

10.23

-7.24

2.99
3 CRpKyGGAyGHRE

9.96

-6.86

3.1
4 EKpKyGGAyGHRE

10.2

-7.07

3.13
5 CKpKyGGAyGHRE

10.48

-7.23

3.25
6 EKpKyGGAyGHRF

9.95

-6.54

3.41
7 DRpKyGGAyGHRF

10.46

-6.9

3.56
8 CRpKyGGAyGHRF

10.45

-6.87

3.58
9 EHpKyGGAyGHRE

9.8

-6.17

3.63
10 ERpKyGGAyGHRE

10.42

-6.74

3.68
11 DHpKyGGAyGHRF

9.82

-6.09

3.73
12 CKpKyGGAyGHRF

10.46

-6.67

3.79
13 DRpKyGGAyGHRH

10.47

-6.66

3.81
14 CRpKyGGAyGHRH

9.7

-5.88

3.82
15 CHpKyGGAyGHRH

11.6

-7.71

3.89
16 CKpKyGGAyGHRH

10.44

-6.53

3.91
17 ERpKyGGAyGHRH

11.05

-7.09

3.96
18 EKpKyGGAyGHHF

10.34

-6.36

3.98
19 DKpKyGGAyGHRE

10.2

-6.15

4.05
20 EHpKyGGAyGHRH

9.88

-5.82

4.06
21 DHpKyGGAyGHRE

10.64

-6.56

4.08
22 EHpKyGGAyGHRF

10.13

-6.02

4.11
23 CHpKyGGAyGHRF

10.15

-6.03

4.12
24 EKpRyGGAyGHRE

10.78

-6.63

4.15
25 DHpKyGGAyGHRH

10.38

-6.2

4.18
26 DKpKyGGAyGHRH

9.97

-5.73

4.24
27 ERpKyGGAyGHRF

10.32

-6.01

4.31
28 CHpKyGGAyGHRE

10.45

-6.12

4.33
29 EKpKyGGAyGHRH

10.32

-5.98

4.34
30 DRpKyGGAyGHRE

10.45

-5.78

4.67

 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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