Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-7.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
A
 G 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 2.924 ΔGbinding -1.553
TOTAL
 1.371
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.264
Van der Waals -3.190 Backbone clash 3.180
Electrostatics 0.177 Helix dipole 0.000
Solvation Polar 4.146 Water bridges -0.029
Solvation Hyd -3.966 Disulfide 0.000
VdW clashes 0.850 Electrost. Kon 0.165
Entropy sc 0.641 Part.cov.bonds 0.000
Entropy mc

1.938

 ΔGstability

79.795
       

Predicted ligand sequences for model [BZZ1-D1_2A28-7.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).
 
  BZZ1-D1_2A28-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WMPIRYRR 0.0
2 WMDIRYRR 0.01
3 WMPIPYRR 0.06
4 WMDIPYRR 0.07
5 WMPIRYRW 0.08
6 WMKIRYRR 0.08
7 WMDIRYRW 0.1
8 WMPIRPRR 0.12
9 WMPIPYRW 0.14
10 WMKIPYRR 0.14
11 WMDIRPRR 0.14
12 WMDIPYRW 0.16
13 WMKIRYRW 0.17
14 WWPIRYRR 0.18
15 WMPIPPRR 0.18
16 WMPISYRR 0.19
17 WMDIPPRR 0.2
18 WWDIRYRR 0.2
19 WMDISYRR 0.2
20 WMPIRPRW 0.21
21 WMKIRPRR 0.21
22 WMDIRPRW 0.22
23 WMKIPYRW 0.23
24 WWPIPYRR 0.24
25 WMPIRYMR 0.24
26 WMPRRYRR 0.25
27 WMDIRYMR 0.25
28 WWDIPYRR 0.26
29 WMDRRYRR 0.26
30 WMKISYRR 0.27
31 WWKIRYRR 0.27
32 WMKIPPRR 0.27
33 WWPIRYRW 0.27
34 WMPISYRW 0.27
35 WMPIPPRW 0.27
36 WMDIPPRW 0.28
37 WWDIRYRW 0.28
38 WMKIRPRW 0.29
39 WMDISYRW 0.29
40 WMPIPYMR 0.3
41 WMDIPYMR 0.31
42 WRPIRYRR 0.31
43 WMPRPYRR 0.31
44 WMPISPRR 0.31
45 WWPIRPRR 0.31
46 WMDRPYRR 0.32
47 WRDIRYRR 0.32
48 WWDIRPRR 0.32
49 WMKIRYMR 0.32
50 WMPIRYMW 0.32
51 WMPRRYRW 0.33
52 WWKIPYRR 0.33
53 WWPIPYRW 0.33
54 WMDISPRR 0.33
55 WMKRRYRR 0.33
56 WWDIPYRW 0.34
57 WMDIRYMW 0.34
58 WWKIRYRW 0.35
59 WMKIPPRW 0.35
60 WMDRRYRW 0.35
61 WMPIRKRR 0.35
62 WMKISYRW 0.36
63 WMPIRYRH 0.36
64 WMPIRPMR 0.36
65 WWPIPPRR 0.37
66 WMPRRPRR 0.37
67 WMDIRKRR 0.37
68 WRPIPYRR 0.37
69 WMDIRYRH 0.37
70 WWPISYRR 0.37
71 WMDIRPMR 0.38
72 WWDIPPRR 0.38
73 WMKIPYMR 0.38
74 WMPIPYMW 0.38
75 WRDIPYRR 0.38
76 WRKIRYRR 0.39
77 WMDRRPRR 0.39
78 WRPIRYRW 0.39
79 WMKRPYRR 0.39
80 WMPRPYRW 0.39
81 WWKIRPRR 0.39
82 WWDISYRR 0.39
83 WWPIRPRW 0.39
84 WMDIPYMW 0.4
85 WMDRPYRW 0.4
86 WMPISPRW 0.4
87 WMKISPRR 0.4
88 WWKIPYRW 0.41
89 WRDIRYRW 0.41
90 WMPIPYRH 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WMPIPPRR

4.1

-11.6

-7.5
2 WMDIPPRR

4.51

-11.96

-7.45
3 WMPIPYRR

4.36

-11.41

-7.05
4 WMKIPYRR

4.86

-11.17

-6.31
5 WMKIRPRR

4.5

-10.8

-6.3
6 WMDIPYRR

4.77

-10.67

-5.9
7 WMKISYRR

4.32

-10.18

-5.86
8 WMPIRYRR

5.13

-10.81

-5.68
9 WMPISYRR

3.99

-9.64

-5.65
10 WMDIPYRW

5.18

-10.67

-5.49
11 WMPIRPRR

4.55

-10.0

-5.45
12 WMPIPYRW

4.89

-10.26

-5.37
13 WWDIRYRR

4.73

-9.86

-5.13
14 WMPRRYRR

4.82

-9.93

-5.11
15 WMPIRPRW

5.41

-10.47

-5.06
16 WMDIRYRR

6.23

-10.65

-4.42
17 WMDISYRR

4.07

-8.47

-4.4
18 WWPIPYRR

4.78

-9.11

-4.33
19 WMKIPYRW

5.23

-9.23

-4.0
20 WMDIRYMR

4.38

-8.25

-3.87
21 WMDIRPRR

5.56

-9.43

-3.87
22 WMKIRYRW

5.35

-9.19

-3.84
23 WMDRRYRR

4.91

-8.74

-3.83
24 WWDIPYRR

4.44

-8.21

-3.77
25 WWPIRYRR

4.42

-8.08

-3.66
26 WMKIRYRR

6.28

-9.43

-3.15
27 WMPIRYMR

5.01

-8.06

-3.05
28 WMDIRPRW

5.77

-8.76

-2.99
29 WMDIRYRW

6.67

-9.38

-2.71
30 WMPIRYRW

6.37

-8.0

-1.63

 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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