Predicted ligand sequences


ADAN-name: 2FYS2.PDB (view again the scoring matrix)

PDB name: [2FYS.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R R L Q K G N L P V R
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
A
A
 A
A
 G 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 6.047 ΔGbinding 5.343
TOTAL
 11.390
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb 0.650 Torsional clash 1.717
Van der Waals -10.264 Backbone clash 2.298
Electrostatics -2.559 Helix dipole -0.030
Solvation Polar 13.195 Water bridges -0.176
Solvation Hyd -14.485 Disulfide 0.000
VdW clashes 9.640 Electrost. Kon -2.453
Entropy sc 4.447 Part.cov.bonds 0.000
Entropy mc

6.937

 ΔGstability

162.041
       

Predicted ligand sequences for template [2FYS2.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).
 
  2FYS2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRKRGGKLRFC 0.0
2 WRKRGGKLRFL 0.01
3 WRKRGGKLRHC 0.03
4 WRKRGGKLRHL 0.04
5 WRRRGGKLRFC 0.09
6 WRRRGGKLRFL 0.09
7 WRRRGGKLRHC 0.12
8 WRKRGGKCRFC 0.12
9 WRKRGGKCRFL 0.12
10 WRRRGGKLRHL 0.13
11 WRKMGGKLRFC 0.13
12 WRKRGGKLRQL 0.14
13 WRKRGGKLRQC 0.14
14 WRKMGGKLRFL 0.14
15 WRKRGGKCRHC 0.15
16 WRKRGGKCRHL 0.16
17 WRKMGGKLRHL 0.17
18 WRKMGGKLRHC 0.17
19 WRRRGGKCRFC 0.2
20 WRRRGGKCRFL 0.21
21 WRRMGGKLRFC 0.22
22 WRRRGGKLRQC 0.22
23 WRKKGGKLRFC 0.23
24 WRRMGGKLRFL 0.23
25 WRRRGGKLRQL 0.23
26 WRKKGGKLRFL 0.24
27 WRRRGGKCRHL 0.24
28 WRRRGGKCRHC 0.24
29 WRRMGGKLRHC 0.25
30 WRKRGGKCRQC 0.25
31 WRKRGGFLRFL 0.25
32 WRKRGGFLRFC 0.25
33 WRKMGGKCRFC 0.25
34 WRKRGGYLRFL 0.26
35 WRKRGGYLRFC 0.26
36 WRRMGGKLRHL 0.26
37 WRKRGGKCRQL 0.26
38 WRKKGGKLRHC 0.26
39 WRKMGGKCRFL 0.26
40 WRKMGGKLRQC 0.27
41 WRKKGGKLRHL 0.27
42 WRKMGGKLRQL 0.28
43 WRKRGGFLRHC 0.28
44 WRKMGGKCRHC 0.28
45 WRKRGGYLRHC 0.29
46 WRKRGGKLPFL 0.29
47 WRKRGGKLPFC 0.29
48 WRKRGGFLRHL 0.29
49 WRKMGGKCRHL 0.29
50 WRKRGGYLRHL 0.3
51 WRKRGGKLyFC 0.3
52 WRKRGGKLyFL 0.31
53 WRKRGGKLPHC 0.32
54 WRRKGGKLRFC 0.32
55 WRRKGGKLRFL 0.32
56 WRRRGGFLRFC 0.33
57 WRKRGGKLPHL 0.33
58 WRKRGGKLyHC 0.33
59 WRRMGGKCRFC 0.34
60 WRRMGGKCRFL 0.34
61 WRRRGGYLRFC 0.34
62 WRRRGGFLRFL 0.34
63 WRRRGGKCRQC 0.34
64 WRKRGGKLyHL 0.34
65 WRRRGGKCRQL 0.34
66 WRKKGGKCRFC 0.35
67 WRKKGGKCRFL 0.35
68 WRRRGGYLRFL 0.35
69 WRKRGFKLRFC 0.35
70 WRKRGFKLRFL 0.35
71 WRRKGGKLRHC 0.35
72 WRRMGGKLRQL 0.36
73 WRRMGGKLRQC 0.36
74 WRRRGGFLRHC 0.36
75 WRRKGGKLRHL 0.36
76 WRKRGGFCRFC 0.36
77 WRRMGGKCRHC 0.37
78 WRKKGGKLRQL 0.37
79 WRRRGGFLRHL 0.37
80 WRKRGGFCRFL 0.37
81 WRKKGGKLRQC 0.37
82 WRKRGGYCRFC 0.37
83 WRRRGGKLPFC 0.37
84 WRKRGGFLRQC 0.38
85 WRKKGGKCRHC 0.38
86 WRRRGGYLRHC 0.38
87 WRRRGGYLRHL 0.38
88 WRRMGGKCRHL 0.38
89 WRKRGFKLRHC 0.38
90 WRKMGGFLRFC 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRRRGGKLRHC

5.96

-10.44

-4.48
2 WRRRGGKLRFC

5.78

-9.61

-3.83
3 WRRMGGKLRFC

6.83

-10.46

-3.63
4 WRRRGGKLRFL

5.87

-9.26

-3.39
5 WRKRGGKLRHL

5.29

-8.64

-3.35
6 WRRMGGKLRHC

5.65

-8.88

-3.23
7 WRRRGGKLRHL

7.28

-10.41

-3.13
8 WRRRGGKLRQC

5.93

-8.86

-2.93
9 WRKRGGKLRFC

6.19

-9.02

-2.83
10 WRRRGGKCRHC

5.29

-7.98

-2.69
11 WRKRGGKCRHL

7.13

-9.26

-2.13
12 WRKRGGKLRQC

5.97

-7.98

-2.01
13 WRRRGGKCRHL

5.66

-7.63

-1.97
14 WRRMGGKLRFL

5.21

-7.13

-1.92
15 WRKRGGKLRFL

6.32

-7.93

-1.61
16 WRKMGGKLRFC

5.73

-7.08

-1.35
17 WRKRGGKCRHC

5.16

-6.41

-1.25
18 WRKMGGKLRHL

5.12

-6.06

-0.94
19 WRRRGGKCRFL

7.05

-7.91

-0.86
20 WRKRGGKLRHC

7.68

-8.35

-0.67
21 WRKRGGKCRFC

4.37

-4.92

-0.55
22 WRKRGGKCRFL

4.75

-4.88

-0.13
23 WRKKGGKLRFC

5.72

-5.56

0.16
24 WRRRGGKCRFC

4.77

-4.46

0.31
25 WRKMGGKLRHC

6.86

-6.42

0.44
26 WRRRGGKLRQL

7.06

-6.39

0.67
27 WRKRGGKLRQL

6.21

-5.41

0.8
28 WRKKGGKLRFL

7.8

-6.7

1.1
29 WRKRGGKCRQC

7.69

-6.09

1.6
30 WRKMGGKLRFL

5.8

35.66

41.46

 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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