Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-18.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
G
 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 10.896 ΔGbinding 3.465
TOTAL
 14.361
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.871
Van der Waals -3.900 Backbone clash 1.236
Electrostatics 0.213 Helix dipole 0.000
Solvation Polar 4.598 Water bridges -0.052
Solvation Hyd -5.042 Disulfide 0.000
VdW clashes 4.666 Electrost. Kon 0.182
Entropy sc 0.704 Part.cov.bonds 0.000
Entropy mc

2.500

 ΔGstability

42.936
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPIPGHHYY 0.0
2 FPPIPGHWYY 0.1
3 FPPIPSHHYY 0.11
4 FPPIPGIHYY 0.14
5 RPPIPGHHYY 0.15
6 FPPIKGHHYY 0.19
7 FPPIPSHWYY 0.21
8 FPFIPGHHYY 0.21
9 FPPIDGHHYY 0.23
10 FPRIPGHHYY 0.23
11 FPPIPGIWYY 0.24
12 FPPIPSIHYY 0.25
13 RPPIPGHWYY 0.25
14 RPPIPSHHYY 0.26
15 FPPIPGVHYY 0.29
16 RPPIPGIHYY 0.29
17 FPPIKGHWYY 0.29
18 FPPIKSHHYY 0.3
19 FPPIPGHNYY 0.31
20 FPFIPGHWYY 0.31
21 FPFIPSHHYY 0.32
22 FPRIPGHWYY 0.33
23 FPPIKGIHYY 0.33
24 FPPIDGHWYY 0.33
25 FPPIPSIWYY 0.34
26 FPRIPSHHYY 0.34
27 FPPIDSHHYY 0.34
28 RPPIKGHHYY 0.34
29 FPFIPGIHYY 0.35
30 RPPIPSHWYY 0.36
31 RPFIPGHHYY 0.36
32 FPRIPGIHYY 0.37
33 FPPIDGIHYY 0.37
34 RPRIPGHHYY 0.38
35 RPPIDGHHYY 0.39
36 FPPIPGVWYY 0.39
37 FPPIKSHWYY 0.39
38 RPPIPGIWYY 0.39
39 FPFIKGHHYY 0.4
40 FPPIPSVHYY 0.4
41 RPPIPSIHYY 0.4
42 FPPIKGIWYY 0.42
43 FPPIPSHNYY 0.42
44 FPRIKGHHYY 0.42
45 FPFIPSHWYY 0.42
46 FPPIKSIHYY 0.43
47 FPPIDSHWYY 0.44
48 FPRIPSHWYY 0.44
49 RPPIKGHWYY 0.44
50 RPPIPGVHYY 0.44
51 FPFIPGIWYY 0.45
52 FPFIDGHHYY 0.45
53 RPPIKSHHYY 0.45
54 FPPIPGINYY 0.45
55 RPPIPGHNYY 0.46
56 RPFIPGHWYY 0.46
57 FPFIPSIHYY 0.46
58 RPFIPSHHYY 0.47
59 FPPIDGIWYY 0.47
60 FPRIPGIWYY 0.47
61 FPRIDGHHYY 0.47
62 RPPIDGHWYY 0.48
63 RPPIKGIHYY 0.48
64 RPRIPGHWYY 0.48
65 FPPIKGVHYY 0.48
66 FPRIPSIHYY 0.48
67 FPPIDSIHYY 0.48
68 RPPIPSIWYY 0.49
69 RPPIDSHHYY 0.49
70 RPRIPSHHYY 0.49
71 FPPIPSVWYY 0.5
72 RPFIPGIHYY 0.5
73 FPFIKGHWYY 0.5
74 FPPIKGHNYY 0.5
75 FPFIKSHHYY 0.51
76 FPFIPGVHYY 0.51
77 FPRIPGVHYY 0.52
78 RPPIDGIHYY 0.52
79 FPRIKGHWYY 0.52
80 RPRIPGIHYY 0.52
81 FPPIDGVHYY 0.53
82 FPPIKSIWYY 0.53
83 FPRIKSHHYY 0.53
84 FPFIPGHNYY 0.53
85 RPPIPGVWYY 0.54
86 RPPIKSHWYY 0.54
87 FPFIKGIHYY 0.54
88 FPFIDGHWYY 0.55
89 FPRIPGHNYY 0.55
90 FPPIDGHNYY 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPIKGHHYY

6.55

-5.45

1.1
2 FPRIPGHHYY

6.45

-5.06

1.39
3 RPPIPGHHYY

7.04

-5.47

1.57
4 RPPIPGHWYY

6.43

-4.72

1.71
5 FPFIPGHHYY

6.31

-4.54

1.77
6 FPPIKGHHYY

6.15

-4.37

1.78
7 FPPIPGHHYY

7.06

-5.26

1.8
8 FPPIKGIHYY

7.07

-5.11

1.96
9 FPPIPGHNYY

7.46

-5.36

2.1
10 FPRIPGHWYY

6.07

-3.93

2.14
11 FPFIPGHWYY

6.18

-4.01

2.17
12 FPPIKGHWYY

6.38

-4.16

2.22
13 FPPIPGVHYY

6.37

-4.12

2.25
14 FPPIPGIHYY

6.63

-4.15

2.48
15 FPPIPGIWYY

6.85

-4.12

2.73
16 FPPIDGHWYY

6.28

-3.53

2.75
17 FPPIPGHWYY

6.16

-3.37

2.79
18 FPFIPGIHYY

5.98

-2.91

3.07
19 FPPIDGHHYY

6.14

-2.69

3.45
20 FPFIPSHHYY

8.71

-5.02

3.69
21 FPRIPSHHYY

8.18

-4.33

3.85
22 RPPIPSHWYY

8.68

-4.77

3.91
23 FPPIPSHHYY

8.48

-4.55

3.93
24 FPPIKSHHYY

8.65

-4.67

3.98
25 FPPIPSIHYY

9.52

-5.53

3.99
26 RPPIPGIHYY

6.36

-2.28

4.08
27 FPPIDSHHYY

8.38

-4.04

4.34
28 RPPIPSHHYY

8.31

-3.77

4.54
29 FPPIPSHWYY

8.39

-2.34

6.05
30 FPPIPSIWYY

8.21

-2.0

6.21

 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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