Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-27.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala
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 2.041 ΔGbinding -1.311
TOTAL
 0.730
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.202
Van der Waals -4.106 Backbone clash 0.043
Electrostatics 0.058 Helix dipole 0.000
Solvation Polar 4.545 Water bridges -0.006
Solvation Hyd -5.507 Disulfide 0.000
VdW clashes 1.760 Electrost. Kon 0.053
Entropy sc 0.791 Part.cov.bonds 0.000
Entropy mc

2.174

 ΔGstability

68.956
       

Predicted ligand sequences for model [SDC25_1OV32-27.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).
 
  SDC25_1OV32-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 ENEPEDYRK 0.0
2 ENEPEEYRK 0.05
3 ENEPEDYRW 0.06
4 ENEPEDYRM 0.07
5 EGEPEDYRK 0.11
6 EDEPEDYRK 0.11
7 ENEPEPYRK 0.11
8 ENEPEEYRW 0.11
9 ENEPEEYRM 0.12
10 EDEPEEYRK 0.16
11 EGEPEEYRK 0.16
12 EDEPEDYRW 0.17
13 ENEPEPYRW 0.17
14 EGEPEDYRW 0.18
15 EDEPEDYRM 0.18
16 ENEPEPYRM 0.18
17 ENEPEDFRK 0.18
18 EGEPEDYRM 0.19
19 ENPPEDYRK 0.2
20 ENEPEDYWK 0.22
21 EGEPEPYRK 0.22
22 EDEPEEYRW 0.22
23 EDEPEPYRK 0.22
24 EGEPEEYRW 0.22
25 ENEPEEFRK 0.23
26 EDEPEEYRM 0.23
27 EGEPEEYRM 0.23
28 ENPPEEYRK 0.24
29 ENEPEDFRW 0.24
30 ENEPEDFRM 0.26
31 ENPPEDYRW 0.26
32 ENFPEDYRK 0.27
33 ENEPEEYWK 0.27
34 ENPPEDYRM 0.27
35 ENEPEDYYK 0.28
36 ENEPEDYWW 0.29
37 ENEPEEFRW 0.29
38 EGEPEPYRW 0.29
39 EDEPEPYRW 0.29
40 EGEPEDFRK 0.29
41 EDEPEDFRK 0.29
42 ENEPEPFRK 0.29
43 ENEPEDYWM 0.3
44 ENEPEEFRM 0.3
45 EGEPEPYRM 0.3
46 EDEPEPYRM 0.3
47 EGPPEDYRK 0.31
48 ENPPEEYRW 0.31
49 ENPPEPYRK 0.31
50 EDPPEDYRK 0.31
51 ENPPEEYRM 0.32
52 ENEPEEYYK 0.32
53 ENFPEEYRK 0.32
54 EDEPEDYWK 0.33
55 ENEPEEYWW 0.33
56 ENEPEDIRK 0.33
57 ENEPEPYWK 0.33
58 ENFPEDYRW 0.34
59 ENEPEEYWM 0.34
60 ENEPEDYYW 0.34
61 EDEPEEFRK 0.34
62 EGEPEDYWK 0.34
63 EGEPEEFRK 0.34
64 ENFPEDYRM 0.35
65 ENEPEDYYM 0.35
66 EDEPEDFRW 0.35
67 ENEPEPFRW 0.35
68 EGPPEEYRK 0.36
69 EGEPEDFRW 0.36
70 EDPPEEYRK 0.36
71 EGPPEDYRW 0.37
72 EGEPEDFRM 0.37
73 EDEPEDFRM 0.37
74 ENEPEEIRK 0.37
75 ENEPEPFRM 0.37
76 ENPPEPYRW 0.37
77 EDPPEDYRW 0.37
78 EDFPEDYRK 0.38
79 EGEPEEYWK 0.38
80 EDEPEEYWK 0.38
81 ENFPEEYRW 0.38
82 ENPPEPYRM 0.38
83 ENFPEPYRK 0.38
84 EGPPEDYRM 0.38
85 EDPPEDYRM 0.38
86 ENPPEDFRK 0.38
87 EGEPEDYYK 0.39
88 EDEPEDYYK 0.39
89 ENEPEEYYW 0.39
90 ENEPEDIRW 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EGEPEDYRW

4.47

-5.03

-0.56
2 EGEPEDYRK

4.45

-4.78

-0.33
3 EGEPEEYRK

4.09

-4.34

-0.25
4 EDEPEDYRW

5.14

-5.35

-0.21
5 EGEPEPYRK

4.04

-4.16

-0.12
6 EGEPEDYRM

4.61

-4.72

-0.11
7 EGEPEEYRW

4.63

-4.63

0.0
8 EDEPEDYRM

5.23

-5.2

0.03
9 EGEPEEYRM

4.02

-3.94

0.08
10 EDEPEEYRK

5.1

-5.0

0.1
11 ENPPEEYRK

5.37

-5.2

0.17
12 ENEPEDYRW

4.56

-4.33

0.23
13 EDEPEEYRW

5.4

-5.15

0.25
14 ENEPEEYRM

5.06

-4.72

0.34
15 ENEPEDFRM

4.9

-4.48

0.42
16 ENEPEDYRM

4.61

-4.15

0.46
17 EDEPEDYRK

5.16

-4.67

0.49
18 ENEPEDFRK

4.9

-4.38

0.52
19 EDEPEEYRM

4.87

-4.27

0.6
20 EDEPEPYRK

5.18

-4.55

0.63
21 ENEPEDYWK

6.07

-5.41

0.66
22 ENEPEDFRW

5.27

-4.59

0.68
23 ENEPEPYRW

5.02

-4.22

0.8
24 ENEPEPYRM

6.2

-5.34

0.86
25 ENEPEEFRK

5.62

-4.71

0.91
26 ENEPEPYRK

4.99

-3.98

1.01
27 ENEPEDYRK

5.47

-4.43

1.04
28 ENEPEEYRW

5.34

-4.28

1.06
29 ENEPEEYRK

5.36

-4.18

1.18
30 ENPPEDYRK

6.21

-4.93

1.28

 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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