Predicted ligand sequences


ADAN-name: 1SVG2.PDB (view again the scoring matrix)

PDB name: [1SVG.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
 A
A
 A
A
A
A
A
G
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 6.624 ΔGbinding -35.296
TOTAL
 -28.672
Backbone Hb -6.100 Cis_bond 0.000
Sidechain Hb -13.763 Torsional clash 1.451
Van der Waals -18.863 Backbone clash 0.171
Electrostatics -13.956 Helix dipole 0.113
Solvation Polar 29.399 Water bridges -0.115
Solvation Hyd -22.384 Disulfide 0.000
VdW clashes 0.351 Electrost. Kon -5.722
Entropy sc 9.247 Part.cov.bonds 0.000
Entropy mc

5.042

 ΔGstability

-69.288
       

Predicted ligand sequences for template [1SVG2.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).
 
  1SVG2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERFyWFWKMRWMYRRRQFWD 0.0
2 ERFyWFWKMRWMYRRRQFFD 0.03
3 ERFyWFWRMRWMYRRRQFWD 0.03
4 ERFyWFWKMRWMYRRRQIWD 0.04
5 ERFDWFWKMRWMYRRRQFWD 0.04
6 ERFyWFWHMRWMYRRRQFWD 0.04
7 DRFyWFWKMRWMYRRRQFWD 0.04
8 ERFpWFWKMRWMYRRRQFWD 0.04
9 ERFyWFWRMRWMYRRRQFFD 0.05
10 sRFyWFWKMRWMYRRRQFWD 0.06
11 ERFyWFWRMRWMYRRRQIWD 0.07
12 DRFyWFWKMRWMYRRRQFFD 0.07
13 DRFyWFWRMRWMYRRRQFWD 0.07
14 ERFyWFWHMRWMYRRRQFFD 0.07
15 ERFDWFWKMRWMYRRRQFFD 0.07
16 ERFDWFWRMRWMYRRRQFWD 0.07
17 ERFpWFWKMRWMYRRRQFFD 0.07
18 ERFyWFWKMRWMYRRRQIFD 0.07
19 ERFpWFWRMRWMYRRRQFWD 0.07
20 ERFyWFWKMRWMYRRRQFYD 0.07
21 DRFyWFWKMRWMYRRRQIWD 0.08
22 ERFDWFWKMRWMYRRRQIWD 0.08
23 ERFyWFWHMRWMYRRRQIWD 0.08
24 DRFyWFWHMRWMYRRRQFWD 0.08
25 ERFpWFWKMRWMYRRRQIWD 0.08
26 sRFyWFWKMRWMYRRRQFFD 0.08
27 ERFyWFWRMRWMYRRRQIFD 0.09
28 DRFDWFWKMRWMYRRRQFWD 0.09
29 ERFDWFWHMRWMYRRRQFWD 0.09
30 DRFpWFWKMRWMYRRRQFWD 0.09
31 ERFpWFWHMRWMYRRRQFWD 0.09
32 sRFyWFWRMRWMYRRRQFWD 0.09
33 ERFyWFWRMRWMYRRRQFYD 0.1
34 sRFyWFWKMRWMYRRRQIWD 0.1
35 ERFyWFRKMRWMYRRRQFWD 0.1
36 DRFyWFWRMRWMYRRRQFFD 0.1
37 sRFyWFWHMRWMYRRRQFWD 0.1
38 ERFDWFWRMRWMYRRRQFFD 0.1
39 ERFpWFWRMRWMYRRRQFFD 0.1
40 DRFDWFWKMRWMYRRRQFFD 0.11
41 DRFpWFWRMRWMYRRRQFWD 0.11
42 ERFDWFWRMRWMYRRRQIWD 0.11
43 DRFyWFWRMRWMYRRRQIWD 0.11
44 sRFDWFWKMRWMYRRRQFWD 0.11
45 DRFyWFWKMRWMYRRRQIFD 0.11
46 sRFpWFWKMRWMYRRRQFWD 0.11
47 ERFpWFWRMRWMYRRRQIWD 0.11
48 DRFyWFWHMRWMYRRRQFFD 0.11
49 ERFpWFWKMRWMYRRRQIFD 0.11
50 ERFyWFWKMRWMYRRRQIYD 0.11
51 DRFpWFWKMRWMYRRRQFFD 0.11
52 DRFyWFWKMRWMYRRRQFYD 0.11
53 sRFyWFWRMRWMYRRRQFFD 0.11
54 ERFDWFWKMRWMYRRRQIFD 0.11
55 ERFpWFWHMRWMYRRRQFFD 0.11
56 ERFyWFWHMRWMYRRRQIFD 0.11
57 ERFDWFWHMRWMYRRRQFFD 0.11
58 ERFyWFWHMRWMYRRRQFYD 0.11
59 DRFDWFWRMRWMYRRRQFWD 0.11
60 DRFyWFWHMRWMYRRRQIWD 0.12
61 ERFDWFWKMRWMYRRRQFYD 0.12
62 ERWyWFWKMRWMYRRRQFWD 0.12
63 ERFpWFWKMRWMYRRRQFYD 0.12
64 ERFyWFRRMRWMYRRRQFWD 0.13
65 ERFyWFWKMRWMYRKRQFWD 0.13
66 sRFyWFWRMRWMYRRRQIWD 0.13
67 sRFyWFWKMRWMYRRRQFYD 0.13
68 DRFDWFWHMRWMYRRRQFWD 0.13
69 sRFpWFWKMRWMYRRRQFFD 0.13
70 sRFyWFWKMRWMYRRRQIFD 0.13
71 ERFpWFWHMRWMYRRRQIWD 0.13
72 sRFpWFWRMRWMYRRRQFWD 0.13
73 ERFDWFWHMRWMYRRRQIWD 0.13
74 DRFpWFWHMRWMYRRRQFWD 0.13
75 sRFDWFWRMRWMYRRRQFWD 0.13
76 DRFpWFWKMRWMYRRRQIWD 0.13
77 DRFDWFWKMRWMYRRRQIWD 0.13
78 sRFyWFWHMRWMYRRRQFFD 0.13
79 ERFyWFRKMRWMYRRRQFFD 0.13
80 sRFDWFWKMRWMYRRRQFFD 0.13
81 sRFyWFWHMRWMYRRRQIWD 0.14
82 DRFyWFRKMRWMYRRRQFWD 0.14
83 ERFyWFRHMRWMYRRRQFWD 0.14
84 ERFDWFWRMRWMYRRRQIFD 0.14
85 DRFyWFWRMRWMYRRRQIFD 0.14
86 DRFyWFWRMRWMYRRRQFYD 0.14
87 ERFyWFWRMRWMYRRRQIYD 0.14
88 ERFpWFWRMRWMYRRRQIFD 0.14
89 sRFDWFWKMRWMYRRRQIWD 0.14
90 DRFDWFWRMRWMYRRRQFFD 0.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ERFyWFWRMRWMYRRRQIWD

6.77

-42.63

-35.86
2 DRFyWFWKMRWMYRRRQFFD

6.38

-41.84

-35.46
3 DRFyWFWHMRWMYRRRQFWD

6.51

-41.63

-35.12
4 ERFpWFWKMRWMYRRRQFFD

6.78

-41.75

-34.97
5 ERFyWFWHMRWMYRRRQIWD

7.54

-42.5

-34.96
6 ERFDWFWKMRWMYRRRQIWD

7.21

-41.49

-34.28
7 ERFDWFWRMRWMYRRRQFWD

6.71

-40.63

-33.92
8 ERFyWFWRMRWMYRRRQFFD

7.18

-40.92

-33.74
9 sRFyWFWKMRWMYRRRQFWD

6.85

-40.42

-33.57
10 DRFpWFWKMRWMYRRRQFWD

6.56

-39.85

-33.29
11 ERFpWFWRMRWMYRRRQFWD

6.85

-40.03

-33.18
12 ERFyWFWKMRWMYRRRQIWD

7.87

-40.95

-33.08
13 ERFyWFWHMRWMYRRRQFFD

7.13

-40.09

-32.96
14 ERFpWFWKMRWMYRRRQFWD

6.15

-38.68

-32.53
15 ERFyWFWKMRWMYRRRQFWD

7.15

-39.58

-32.43
16 ERFyWFWHMRWMYRRRQFWD

6.77

-39.03

-32.26
17 DRFyWFWRMRWMYRRRQFWD

6.39

-38.36

-31.97
18 ERFDWFWKMRWMYRRRQFFD

6.5

-38.35

-31.85
19 ERFyWFWKMRWMYRRRQFFD

9.76

-41.52

-31.76
20 DRFyWFWKMRWMYRRRQFWD

6.74

-38.34

-31.6
21 ERFDWFWHMRWMYRRRQFWD

7.87

-39.32

-31.45
22 ERFpWFWKMRWMYRRRQIWD

10.32

-41.52

-31.2
23 ERFyWFWKMRWMYRRRQIFD

7.21

-38.36

-31.15
24 DRFyWFWKMRWMYRRRQIWD

7.46

-38.44

-30.98
25 sRFyWFWKMRWMYRRRQFFD

6.82

-37.41

-30.59
26 DRFDWFWKMRWMYRRRQFWD

8.26

-37.89

-29.63
27 ERFyWFWRMRWMYRRRQIFD

10.35

-39.75

-29.4
28 ERFDWFWKMRWMYRRRQFWD

9.88

-39.25

-29.37
29 ERFyWFWRMRWMYRRRQFWD

6.33

-35.56

-29.23
30 ERFyWFWKMRWMYRRRQFYD

9.76

-38.67

-28.91

 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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