Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-5.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 2.590 ΔGbinding 5.701
TOTAL
 8.291
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.642
Van der Waals -5.366 Backbone clash 0.150
Electrostatics -0.162 Helix dipole 0.000
Solvation Polar 5.331 Water bridges -0.029
Solvation Hyd -7.643 Disulfide 0.000
VdW clashes 11.728 Electrost. Kon -0.236
Entropy sc 1.055 Part.cov.bonds 0.000
Entropy mc

1.932

 ΔGstability

26.885
       

Predicted ligand sequences for model [BZZ1-D2_2A28-5.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_2A28-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 KYNWPAQDTF 0.0
2 KYNWPAQDHF 0.03
3 KYHWPAQDTF 0.07
4 KYHWPAQDHF 0.1
5 KYNWDAQDTF 0.1
6 KYNWPAQPTF 0.1
7 KYRWPAQDTF 0.1
8 KYNWDAQDHF 0.13
9 KYRWPAQDHF 0.13
10 KYNWPAQPHF 0.14
11 KYNWKAQDTF 0.16
12 KYHWPAQPTF 0.17
13 KYHWDAQDTF 0.17
14 KYNWPAQDPF 0.18
15 KYNWKAQDHF 0.19
16 KYNWPAQRTF 0.19
17 KYNWDAQPTF 0.2
18 KYHWDAQDHF 0.2
19 KYRWPAQPTF 0.2
20 KYHWPAQPHF 0.2
21 KYRWDAQDTF 0.2
22 KYNWPAQRHF 0.22
23 KYNWDAQPHF 0.23
24 KYHWKAQDTF 0.23
25 KYRWDAQDHF 0.23
26 KYRWPAQPHF 0.23
27 KYHWPAQDPF 0.25
28 KYRWKAQDTF 0.26
29 KYNWKAQPTF 0.26
30 KYHWPAQRTF 0.26
31 KYHWKAQDHF 0.26
32 KHNWPAQDTF 0.26
33 KYHWDAQPTF 0.27
34 KYRWPAQDPF 0.28
35 KYNWDAQDPF 0.28
36 KYNWPAQPPF 0.28
37 KFNWPAQDTF 0.29
38 KHNWPAQDHF 0.29
39 KYRWKAQDHF 0.29
40 KYNWKAQPHF 0.29
41 KYHWPAQRHF 0.29
42 KYRWPAQRTF 0.29
43 KYNWDAQRTF 0.29
44 KYRWDAQPTF 0.3
45 KYHWDAQPHF 0.3
46 KFNWPAQDHF 0.32
47 KYNWDAQRHF 0.32
48 KYRWPAQRHF 0.32
49 KHHWPAQDTF 0.33
50 KYRWDAQPHF 0.33
51 KYHWKAQPTF 0.33
52 KYNWKAQDPF 0.34
53 KYHWDAQDPF 0.34
54 KYHWPAQPPF 0.35
55 KYNWKAQRTF 0.35
56 KHNWDAQDTF 0.35
57 KYHWDAQRTF 0.35
58 KHNWPAQPTF 0.36
59 KYRWKAQPTF 0.36
60 KFHWPAQDTF 0.36
61 KHRWPAQDTF 0.36
62 KYHWKAQPHF 0.36
63 KHHWPAQDHF 0.36
64 KYNWPAQRPF 0.37
65 KYNWKAQRHF 0.38
66 KYNWDAQPPF 0.38
67 KYRWPAQPPF 0.38
68 KYRWDAQDPF 0.38
69 KHNWPAQPHF 0.39
70 KFHWPAQDHF 0.39
71 KYHWDAQRHF 0.39
72 KHNWDAQDHF 0.39
73 KFNWPAQPTF 0.39
74 KFNWDAQDTF 0.39
75 KYRWDAQRTF 0.39
76 KFRWPAQDTF 0.39
77 KYRWKAQPHF 0.39
78 KHRWPAQDHF 0.39
79 KYHWKAQDPF 0.4
80 KYHWKAQRTF 0.42
81 KYNWPAQDTY 0.42
82 KHNWKAQDTF 0.42
83 KFNWDAQDHF 0.42
84 KHHWDAQDTF 0.42
85 KYRWDAQRHF 0.42
86 KFRWPAQDHF 0.42
87 KYRWKAQDPF 0.43
88 KFNWPAQPHF 0.43
89 KHHWPAQPTF 0.43
90 KYHWPAQRPF 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KYRWPAQPHF

2.9

-3.32

-0.42
2 KYNWDAQDHF

3.22

-3.41

-0.19
3 KYNWPAQPHF

4.05

-2.85

1.2
4 KYNWPAQRHF

3.11

-1.75

1.36
5 KYHWPAQPHF

2.99

-1.46

1.53
6 KYRWPAQPTF

4.13

-2.3

1.83
7 KYRWDAQDHF

4.61

-2.72

1.89
8 KYHWDAQDTF

3.45

-1.53

1.92
9 KYNWKAQDHF

4.35

-2.31

2.04
10 KYRWKAQDTF

3.06

-0.98

2.08
11 KYNWDAQPTF

3.97

-1.7

2.27
12 KYNWPAQDHF

3.67

-1.39

2.28
13 KYHWPAQDHF

4.75

-2.43

2.32
14 KYHWPAQDPF

3.36

-0.84

2.52
15 KYRWPAQDHF

4.19

-1.58

2.61
16 KYNWKAQDTF

2.83

-0.2

2.63
17 KYHWDAQDHF

4.46

-1.81

2.65
18 KYHWPAQPTF

2.94

0.37

3.31
19 KYNWDAQPHF

4.79

-1.43

3.36
20 KYNWKAQPTF

3.5

0.06

3.56
21 KYNWPAQRTF

3.2

6.91

10.11
22 KYHWPAQDTF

3.44

7.29

10.73
23 KYRWDAQDTF

3.15

8.09

11.24
24 KYRWPAQDTF

2.46

8.79

11.25
25 KYHWKAQDTF

4.39

6.92

11.31
26 KYNWDAQDTF

4.26

7.38

11.64
27 KYHWPAQRTF

2.66

9.11

11.77
28 KYNWPAQDPF

2.32

9.47

11.79
29 KYNWPAQPTF

2.53

9.31

11.84
30 KYNWPAQDTF

2.67

9.97

12.64

 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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