Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-29.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 10
poly-Ala
A
A
A
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 7.246 ΔGbinding 3.537
TOTAL
 10.783
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.444
Van der Waals -4.271 Backbone clash 0.006
Electrostatics 0.112 Helix dipole 0.000
Solvation Polar 4.732 Water bridges 0.009
Solvation Hyd -5.506 Disulfide 0.000
VdW clashes 5.106 Electrost. Kon 0.082
Entropy sc 0.658 Part.cov.bonds 0.000
Entropy mc

2.172

 ΔGstability

41.155
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-29.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_1ZUU-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPENRRKPK 0.0
2 RWPPNRRKPK 0.0
3 DWPPNRRKPK 0.03
4 DWPENRRKPK 0.03
5 RWPERRRKPK 0.04
6 RWPPRRRKPK 0.04
7 HWPENRRKPK 0.04
8 HWPPNRRKPK 0.04
9 DWPERRRKPK 0.07
10 RWPFNRRKPK 0.07
11 DWPPRRRKPK 0.07
12 HWPPRRRKPK 0.08
13 HWPERRRKPK 0.08
14 RWPPMRRKPK 0.09
15 RWPEMRRKPK 0.1
16 DWPFNRRKPK 0.1
17 HWPFNRRKPK 0.11
18 DWPEMRRKPK 0.12
19 RWPFRRRKPK 0.12
20 DWPPMRRKPK 0.12
21 HWPEMRRKPK 0.13
22 HWPPMRRKPK 0.13
23 DWPFRRRKPK 0.14
24 HWPFRRRKPK 0.15
25 RWPENRRKPH 0.16
26 RWPPNRRKPH 0.16
27 RWPFMRRKPK 0.17
28 DWPPNRRKPH 0.18
29 RWPPNRRKKK 0.18
30 DWPENRRKPH 0.18
31 RWPENRRKKK 0.19
32 HWPENRRKPH 0.19
33 HWPPNRRKPH 0.19
34 RWPERRRKPH 0.2
35 RWPENRRKPR 0.2
36 RWPPNRRKPR 0.2
37 RWPPRRRKPH 0.2
38 HWPFMRRKPK 0.2
39 DWPFMRRKPK 0.2
40 DWPENRRKKK 0.21
41 DWPPNRRKKK 0.21
42 HWPENRRKKK 0.22
43 HWPPNRRKKK 0.22
44 HWPPRRRKPH 0.23
45 DWPPNRRKPR 0.23
46 RWPPRRRKKK 0.23
47 DWPPRRRKPH 0.23
48 RWPERRRKKK 0.23
49 DWPENRRKPR 0.23
50 HWPPNRRKPR 0.23
51 DWPERRRKPH 0.23
52 RWPFNRRKPH 0.23
53 RWPERRRKPR 0.24
54 HWPERRRKPH 0.24
55 RWPPRRRKPR 0.24
56 HWPENRRKPR 0.24
57 RWPEMRRKPH 0.25
58 RWPPMRRKPH 0.25
59 DWPPRRRKKK 0.25
60 HWPPRRRKKK 0.26
61 RWPFNRRKKK 0.26
62 DWPFNRRKPH 0.26
63 DWPERRRKKK 0.26
64 HWPERRRKKK 0.26
65 HWPFNRRKPH 0.27
66 DWPERRRKPR 0.27
67 RWPFNRRKPR 0.27
68 DWPPRRRKPR 0.27
69 HWPPRRRKPR 0.28
70 RWPFRRRKPH 0.28
71 HWPERRRKPR 0.28
72 DWPFNRRKKK 0.28
73 RWPPNRRKFK 0.28
74 DWPPMRRKPH 0.28
75 DWPEMRRKPH 0.28
76 RWPPMRRKKK 0.28
77 RWPEMRRKKK 0.28
78 HWPFNRRKKK 0.29
79 HWPEMRRKPH 0.29
80 RWPPMRRKPR 0.29
81 RWPENRRKFK 0.29
82 HWPPMRRKPH 0.29
83 DWPFRRRKPH 0.3
84 RWPEMRRKPR 0.3
85 DWPFNRRKPR 0.3
86 DWPPMRRKKK 0.3
87 RWPFRRRKKK 0.3
88 HWPFRRRKPH 0.31
89 HWPPMRRKKK 0.31
90 DWPENRRKFK 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DWPEMRRKPK

4.54

-4.79

-0.25
2 RWPPMRRKPK

4.44

-4.31

0.13
3 HWPPMRRKPK

4.93

-4.64

0.29
4 DWPPMRRKPK

4.96

-4.43

0.53
5 DWPPRRRKPK

5.28

-4.65

0.63
6 RWPPNRRKPH

4.54

-3.74

0.8
7 RWPFMRRKPK

4.48

-3.56

0.92
8 DWPERRRKPK

4.4

-3.43

0.97
9 RWPEMRRKPK

4.86

-3.81

1.05
10 DWPENRRKPH

4.54

-3.44

1.1
11 HWPFRRRKPK

4.42

-3.28

1.14
12 RWPPRRRKPK

4.64

-3.45

1.19
13 RWPPNRRKPK

4.97

-3.78

1.19
14 DWPFNRRKPK

5.16

-3.9

1.26
15 HWPPRRRKPK

4.88

-3.55

1.33
16 DWPFRRRKPK

4.62

-3.28

1.34
17 HWPERRRKPK

5.14

-3.74

1.4
18 DWPENRRKPK

4.98

-3.56

1.42
19 DWPPNRRKPH

4.87

-3.43

1.44
20 RWPENRRKPH

5.44

-3.99

1.45
21 DWPPNRRKPK

5.04

-3.51

1.53
22 HWPFNRRKPK

4.41

-2.84

1.57
23 RWPFRRRKPK

4.64

-3.06

1.58
24 HWPENRRKPK

4.54

-2.88

1.66
25 HWPEMRRKPK

4.56

-2.84

1.72
26 RWPERRRKPK

5.33

-3.61

1.72
27 RWPENRRKPK

4.61

-2.65

1.96
28 HWPPNRRKPK

4.4

-1.96

2.44
29 RWPFNRRKPK

5.5

-2.59

2.91
30 RWPPNRRKKK

4.67

-1.6

3.07

 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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