Predicted ligand sequences


ADAN-name: 2DVJ2.PDB (view again the scoring matrix)

PDB name: [2DVJ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P E P G P y A Q P S V N T
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
A
 A
A
G
A
y
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 20.454 ΔGbinding 4.050
TOTAL
 24.504
Backbone Hb -0.090 Cis_bond 0.000
Sidechain Hb -1.630 Torsional clash 1.210
Van der Waals -10.630 Backbone clash 4.290
Electrostatics -1.350 Helix dipole 0.000
Solvation Polar 13.830 Water bridges -1.350
Solvation Hyd -13.020 Disulfide 0.000
VdW clashes 8.110 Electrost. Kon -1.300
Entropy sc 3.570 Part.cov.bonds 0.000
Entropy mc

6.690

 ΔGstability

193.530
       

Predicted ligand sequences for template [2DVJ2.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).
 
  2DVJ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DsFGGGGGGFHHR 0.0
2 DsFGGGGGGFRHR 0.03
3 ssFGGGGGGFHHR 0.05
4 DsFGGGGGGFHHY 0.07
5 DsFGGGGGGFHHF 0.07
6 DsFGGGGGGFKHR 0.08
7 ssFGGGGGGFRHR 0.08
8 DsFGGGGGGFRHF 0.09
9 DsFGGGGGGFRHY 0.09
10 KsFGGGGGGFHHR 0.09
11 DsFGGGGGGFHRR 0.11
12 DsFGAGGGGFHHR 0.11
13 DsMGGGGGGFHHR 0.12
14 KsFGGGGGGFRHR 0.12
15 ssFGGGGGGFHHF 0.12
16 ssFGGGGGGFHHY 0.12
17 DsRGGGGGGFHHR 0.13
18 ssFGGGGGGFKHR 0.14
19 DsFGGGGGGFRRR 0.14
20 DsFGAGGGGFRHR 0.14
21 DsFGGGGGGFKHY 0.15
22 DsFGGGGGGFKHF 0.15
23 ssFGGGGGGFRHY 0.15
24 ssFGGGGGGFRHF 0.15
25 DsMGGGGGGFRHR 0.15
26 KsFGGGGGGFHHY 0.15
27 KsFGGGGGGFHHF 0.15
28 ssFGAGGGGFHHR 0.16
29 ssFGGGGGGFHRR 0.16
30 DsRGGGGGGFRHR 0.16
31 DsFGGGGGGFHRF 0.17
32 DsFGGGGGGFHRY 0.17
33 DsFGAGGGGFHHY 0.17
34 DsFGAGGGGFHHF 0.17
35 ssMGGGGGGFHHR 0.17
36 KsFGGGGGGFKHR 0.17
37 DsFGKGGGGFHHR 0.18
38 DsMGGGGGGFHHY 0.18
39 DsMGGGGGGFHHF 0.18
40 KsFGGGGGGFRHF 0.18
41 KsFGGGGGGFRHY 0.18
42 ssRGGGGGGFHHR 0.18
43 DsFGGGGGGFHKR 0.18
44 DsRGGGGGGFHHY 0.19
45 DsRGGGGGGFHHF 0.19
46 DsFGGGGGGFKRR 0.19
47 ssFGAGGGGFRHR 0.19
48 DsFGAGGGGFKHR 0.19
49 ssFGGGGGGFRRR 0.19
50 ssMGGGGGGFRHR 0.2
51 DsMGGGGGGFKHR 0.2
52 KsFGAGGGGFHHR 0.2
53 ssFGGGGGGFKHF 0.2
54 ssFGGGGGGFKHY 0.2
55 DsFGGGGGGFRRY 0.2
56 KsFGGGGGGFHRR 0.2
57 DsFGAGGGGFRHY 0.2
58 DsFGAGGGGFRHF 0.2
59 DsFGGGGGGFRRF 0.2
60 ssRGGGGGGFRHR 0.21
61 DsRGGGGGGFKHR 0.21
62 DsFGKGGGGFRHR 0.21
63 DsFGGGGGGFRKR 0.21
64 DsMGGGGGGFRHF 0.21
65 DsMGGGGGGFRHY 0.21
66 KsMGGGGGGFHHR 0.21
67 KsRGGGGGGFHHR 0.22
68 DsFFGGGGGFHHR 0.22
69 DsFGGGGGPFHHR 0.22
70 DsFYGGGGGFHHR 0.22
71 DsFGAGGGGFHRR 0.22
72 DsRGGGGGGFRHY 0.22
73 DsRGGGGGGFRHF 0.22
74 KsFGGGGGGFRRR 0.22
75 KsMGGGGGGFRHR 0.23
76 ssFGGGGGGFHKR 0.23
77 ssFGAGGGGFHHY 0.23
78 ssFGAGGGGFHHF 0.23
79 KsFGAGGGGFRHR 0.23
80 DsMGGGGGGFHRR 0.23
81 ssFGGGGGGFHRF 0.23
82 ssFGGGGGGFHRY 0.23
83 DsMGAGGGGFHHR 0.23
84 DsRGGGGGGFHRR 0.23
85 ssFGKGGGGFHHR 0.24
86 KsRGGGGGGFRHR 0.24
87 KsFGGGGGGFKHY 0.24
88 DsFYGGGGGFRHR 0.24
89 ssMGGGGGGFHHY 0.24
90 ssMGGGGGGFHHF 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DsFGGGGGGFHHY

5.8

-0.02

5.78
2 ssFGGGGGGFHRR

7.1

-0.1

7.0
3 ssFGGGGGGFKHR

7.37

-0.24

7.13
4 DsFGGGGGGFHHR

6.84

0.36

7.2
5 DsRGGGGGGFRHR

8.03

-0.52

7.51
6 DsFGGGGGGFRRR

7.3

0.32

7.62
7 DsFGGGGGGFRHY

7.02

0.65

7.67
8 DsMGGGGGGFHHR

8.38

-0.59

7.79
9 DsFGGGGGGFHHF

7.13

0.8

7.93
10 DsFGGGGGGFKHY

6.98

0.98

7.96
11 ssFGAGGGGFHHR

7.63

0.6

8.23
12 DsMGGGGGGFRHR

7.83

0.79

8.62
13 ssFGGGGGGFHHF

8.03

0.62

8.65
14 DsFGAGGGGFRHR

8.51

0.19

8.7
15 DsFGAGGGGFHHR

7.99

0.87

8.86
16 ssFGGGGGGFRHY

8.88

0.1

8.98
17 DsFGGGGGGFHRR

8.93

0.23

9.16
18 ssFGGGGGGFRHF

8.95

0.24

9.19
19 ssFGGGGGGFHHY

8.9

0.99

9.89
20 KsFGGGGGGFHHF

8.88

1.3

10.18
21 DsFGGGGGGFKHF

9.29

0.92

10.21
22 KsFGGGGGGFRHR

9.63

0.6

10.23
23 DsFGGGGGGFRHF

9.67

0.71

10.38
24 KsFGGGGGGFHHR

10.56

0.13

10.69
25 DsFGGGGGGFKHR

11.29

0.09

11.38
26 DsRGGGGGGFHHR

11.69

0.18

11.87
27 ssFGGGGGGFRHR

12.59

0.15

12.74
28 KsFGGGGGGFHHY

12.06

1.02

13.08
29 DsFGGGGGGFRHR

13.01

0.16

13.17
30 ssFGGGGGGFHHR

14.61

-0.26

14.35

 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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