Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-12.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 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 5.688 ΔGbinding 3.567
TOTAL
 9.255
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.448
Van der Waals -2.332 Backbone clash 0.004
Electrostatics 0.173 Helix dipole 0.000
Solvation Polar 2.792 Water bridges -0.008
Solvation Hyd -3.028 Disulfide 0.000
VdW clashes 5.131 Electrost. Kon 0.182
Entropy sc 0.326 Part.cov.bonds 0.000
Entropy mc

1.159

 ΔGstability

29.021
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-12.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_1ZUU-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 WKPKRRRR 0.0
2 RKPKRRRR 0.01
3 WKPKPRRR 0.01
4 RKPKPRRR 0.02
5 WKPKKRRR 0.03
6 RKPKKRRR 0.04
7 WKPMRRRR 0.09
8 RKPMRRRR 0.1
9 WKPMPRRR 0.1
10 WKPRRRRR 0.1
11 RKPMPRRR 0.11
12 WKPRPRRR 0.11
13 RKPRRRRR 0.11
14 WKPMKRRR 0.12
15 RKPRPRRR 0.12
16 WWPKRRRR 0.13
17 RKPMKRRR 0.13
18 WKPRKRRR 0.13
19 RWPKRRRR 0.14
20 RKPRKRRR 0.14
21 WWPKPRRR 0.14
22 RWPKPRRR 0.15
23 WWPKKRRR 0.16
24 RWPKKRRR 0.17
25 WWPMRRRR 0.22
26 WEPKRRRR 0.23
27 WWPMPRRR 0.23
28 RWPMRRRR 0.23
29 WWPRRRRR 0.23
30 WKFKRRRR 0.24
31 YKPKRRRR 0.24
32 RWPMPRRR 0.24
33 WWPRPRRR 0.24
34 WEPKPRRR 0.24
35 YKPKPRRR 0.25
36 REPKPRRR 0.25
37 WKFKPRRR 0.25
38 WWPMKRRR 0.25
39 RWPRRRRR 0.25
40 REPKRRRR 0.25
41 WEPKKRRR 0.26
42 RKFKRRRR 0.26
43 RWPRPRRR 0.26
44 WWPRKRRR 0.26
45 RWPMKRRR 0.26
46 YKPKKRRR 0.27
47 WKFKKRRR 0.27
48 RKFKPRRR 0.27
49 REPKKRRR 0.27
50 RWPRKRRR 0.28
51 RKFKKRRR 0.29
52 WEPMRRRR 0.32
53 WEPMPRRR 0.33
54 REPMRRRR 0.33
55 YKPMRRRR 0.33
56 WKFMRRRR 0.33
57 WKFMPRRR 0.34
58 WEPRRRRR 0.34
59 YKPRRRRR 0.34
60 YKPMPRRR 0.34
61 RKFMRRRR 0.34
62 REPMPRRR 0.34
63 WEPRPRRR 0.34
64 YKPRPRRR 0.35
65 WEPMKRRR 0.35
66 WKFRRRRR 0.35
67 RKFMPRRR 0.35
68 REPRRRRR 0.35
69 RKFRRRRR 0.36
70 REPRPRRR 0.36
71 YKPMKRRR 0.36
72 REPMKRRR 0.36
73 WKFMKRRR 0.36
74 WEPRKRRR 0.36
75 WKFRPRRR 0.36
76 RKFMKRRR 0.37
77 RKFRPRRR 0.37
78 YKPRKRRR 0.37
79 YWPKRRRR 0.37
80 WKFRKRRR 0.38
81 WWFKRRRR 0.38
82 REPRKRRR 0.38
83 YWPKPRRR 0.38
84 RWFKRRRR 0.39
85 RKFRKRRR 0.39
86 WWFKPRRR 0.39
87 RWFKPRRR 0.4
88 YWPKKRRR 0.4
89 WWFKKRRR 0.41
90 RWFKKRRR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKPMPRRR

4.69

-7.96

-3.27
2 RKPKRRRR

4.21

-6.08

-1.87
3 RWPMRRRR

3.89

-5.38

-1.49
4 WWPRRRRR

4.07

-5.41

-1.34
5 WKFKRRRR

4.89

-6.22

-1.33
6 RKPRPRRR

3.99

-5.22

-1.23
7 WKPMPRRR

3.85

-5.04

-1.19
8 WKPRKRRR

4.1

-5.23

-1.13
9 WWPKPRRR

3.81

-4.94

-1.13
10 WKPKRRRR

3.91

-4.91

-1.0
11 WWPMPRRR

3.62

-4.55

-0.93
12 RKPRRRRR

4.55

-5.42

-0.87
13 WKPRRRRR

4.01

-4.86

-0.85
14 RKPRKRRR

3.96

-4.7

-0.74
15 RWPKRRRR

4.27

-4.96

-0.69
16 RKPKPRRR

4.2

-4.64

-0.44
17 RKPMRRRR

4.61

-5.04

-0.43
18 WEPKRRRR

5.4

-5.82

-0.42
19 RKPKKRRR

4.03

-4.45

-0.42
20 WWPKKRRR

3.86

-4.24

-0.38
21 WWPMRRRR

3.81

-4.11

-0.3
22 WKPKKRRR

3.82

-4.04

-0.22
23 WKPMRRRR

3.92

-4.09

-0.17
24 RWPKPRRR

4.54

-4.52

0.02
25 RWPKKRRR

3.92

-3.78

0.14
26 WKPMKRRR

4.28

-3.97

0.31
27 WWPKRRRR

4.04

-3.56

0.48
28 WKPKPRRR

4.94

-4.3

0.64
29 WKPRPRRR

5.4

-4.46

0.94
30 RKPMKRRR

4.6

-3.58

1.02

 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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