Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_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 1.690 ΔGbinding -1.692
TOTAL
 -0.002
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.202
Van der Waals -3.015 Backbone clash 2.902
Electrostatics 0.144 Helix dipole 0.000
Solvation Polar 3.743 Water bridges 0.000
Solvation Hyd -3.844 Disulfide 0.000
VdW clashes 1.350 Electrost. Kon 0.135
Entropy sc 0.561 Part.cov.bonds 0.000
Entropy mc

1.583

 ΔGstability

14.750
       

Predicted ligand sequences for model [BZZ1-D2_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-D2_2A28-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 YFPRRPRR 0.0
2 YFPRRYRR 0.01
3 WFPRRPRR 0.02
4 WFPRRYRR 0.04
5 YFRRRPRR 0.1
6 WFRRRPRR 0.12
7 YFRRRYRR 0.12
8 YFPKRPRR 0.14
9 YMPRRPRR 0.14
10 WFRRRYRR 0.14
11 YMPRRYRR 0.15
12 WMPRRPRR 0.16
13 WFPKRPRR 0.16
14 YFPKRYRR 0.16
15 YFHRRPRR 0.18
16 WFPKRYRR 0.18
17 WMPRRYRR 0.18
18 YFHRRYRR 0.2
19 WFHRRPRR 0.21
20 WFHRRYRR 0.22
21 YRPRRPRR 0.23
22 YFRKRPRR 0.24
23 YRPRRYRR 0.24
24 YMRRRPRR 0.24
25 WRPRRPRR 0.25
26 YFRKRYRR 0.26
27 WMRRRPRR 0.26
28 YMRRRYRR 0.26
29 WRPRRYRR 0.27
30 WFRKRPRR 0.27
31 YMPKRPRR 0.28
32 WMRRRYRR 0.28
33 WFRKRYRR 0.28
34 YMPKRYRR 0.29
35 WMPKRPRR 0.3
36 YMHRRPRR 0.32
37 YFHKRPRR 0.32
38 WMPKRYRR 0.32
39 YFPRRKRR 0.32
40 YRRRRPRR 0.33
41 YFHKRYRR 0.34
42 YMHRRYRR 0.34
43 WMHRRPRR 0.34
44 WFPRRKRR 0.34
45 WFHKRPRR 0.35
46 YRRRRYRR 0.35
47 WRRRRPRR 0.35
48 WFHKRYRR 0.36
49 WMHRRYRR 0.36
50 YRPKRPRR 0.37
51 WRRRRYRR 0.37
52 YMRKRPRR 0.38
53 YRPKRYRR 0.38
54 WRPKRPRR 0.39
55 WMRKRPRR 0.4
56 YMRKRYRR 0.4
57 YRHRRPRR 0.41
58 WRPKRYRR 0.41
59 YFRRRKRR 0.42
60 WMRKRYRR 0.42
61 YRHRRYRR 0.43
62 VFPRRPRR 0.43
63 WRHRRPRR 0.43
64 WFRRRKRR 0.44
65 VFPRRYRR 0.44
66 WRHRRYRR 0.45
67 YMPRRKRR 0.46
68 YFPKRKRR 0.46
69 YMHKRPRR 0.46
70 YRRKRPRR 0.47
71 YMHKRYRR 0.48
72 WFPKRKRR 0.48
73 WMPRRKRR 0.48
74 WMHKRPRR 0.49
75 WRRKRPRR 0.49
76 YRRKRYRR 0.49
77 WMHKRYRR 0.5
78 YFHRRKRR 0.5
79 WRRKRYRR 0.51
80 WFHRRKRR 0.53
81 VFRRRPRR 0.53
82 VFRRRYRR 0.54
83 YRHKRPRR 0.55
84 YRPRRKRR 0.55
85 YFRKRKRR 0.56
86 VMPRRPRR 0.56
87 YMRRRKRR 0.56
88 YRHKRYRR 0.57
89 VFPKRPRR 0.57
90 WRPRRKRR 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YFPRRYRR

3.15

-10.38

-7.23
2 WRPRRPRR

3.43

-10.41

-6.98
3 WFPRRYRR

3.35

-10.31

-6.96
4 YFRRRYRR

3.46

-10.01

-6.55
5 YFPRRPRR

2.96

-9.45

-6.49
6 YRPRRPRR

3.15

-9.59

-6.44
7 YMRRRYRR

3.53

-9.9

-6.37
8 YFPKRYRR

3.2

-9.57

-6.37
9 WMPRRYRR

3.29

-9.6

-6.31
10 WMPRRPRR

3.59

-9.7

-6.11
11 YMPRRPRR

2.98

-9.02

-6.04
12 YFHRRYRR

3.63

-9.56

-5.93
13 WFPRRPRR

2.91

-8.75

-5.84
14 WFRRRYRR

3.35

-9.14

-5.79
15 YRPRRYRR

4.12

-9.9

-5.78
16 YFRKRPRR

4.08

-9.37

-5.29
17 WFPKRPRR

2.79

-8.07

-5.28
18 YFHRRPRR

2.97

-8.15

-5.18
19 WFRRRPRR

3.4

-8.38

-4.98
20 YMPRRYRR

3.26

-8.22

-4.96
21 WFRKRPRR

2.96

-7.48

-4.52
22 WFHRRPRR

3.33

-7.7

-4.37
23 YFPKRPRR

2.94

-7.08

-4.14
24 YFRRRPRR

3.08

-7.15

-4.07
25 WMRRRPRR

3.17

-7.14

-3.97
26 WFPKRYRR

2.94

-6.68

-3.74
27 WFHRRYRR

3.11

-6.81

-3.7
28 YFRKRYRR

3.33

-6.67

-3.34
29 WRPRRYRR

3.64

-6.86

-3.22
30 YMRRRPRR

3.72

-6.29

-2.57

 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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