Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-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 5.838 ΔGbinding -2.567
TOTAL
 3.271
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.348
Van der Waals -3.087 Backbone clash 0.000
Electrostatics 0.200 Helix dipole 0.000
Solvation Polar 3.295 Water bridges -0.000
Solvation Hyd -4.758 Disulfide 0.000
VdW clashes 0.043 Electrost. Kon 0.323
Entropy sc 0.720 Part.cov.bonds 0.000
Entropy mc

1.624

 ΔGstability

77.444
       

Predicted ligand sequences for model [BBC1_1FYN-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).
 
  BBC1_1FYN-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRPFPPPH 0.0
2 WRRFPPPH 0.0
3 WRPFPPLH 0.03
4 WRRFPPLH 0.03
5 WRHFPPPH 0.08
6 WRHFPPLH 0.11
7 WRRFPPFH 0.16
8 WRPFPPFH 0.17
9 WRHFPPFH 0.24
10 WMPFPPPH 0.33
11 WMRFPPPH 0.33
12 WRPWPPPH 0.34
13 WRRWPPPH 0.34
14 WRRFPRPH 0.35
15 WRPFPRPH 0.35
16 WMPFPPLH 0.36
17 WMRFPPLH 0.36
18 WRPFPKPH 0.36
19 WRRFPKPH 0.36
20 WRPWPPLH 0.37
21 WRRWPPLH 0.37
22 WRPFPRLH 0.38
23 WRPFPPPF 0.38
24 WRRFPPPF 0.38
25 WRRFPRLH 0.38
26 WRPYPPPH 0.39
27 WRRYPPPH 0.39
28 WRRFPKLH 0.39
29 WRPFPKLH 0.39
30 KRRFPPPH 0.4
31 WRPFPPLF 0.41
32 WRRFPPLF 0.41
33 KRPFPPPH 0.41
34 WMHFPPPH 0.41
35 WRPYPPLH 0.42
36 WRRYPPLH 0.42
37 WRHWPPPH 0.42
38 WRHFPRPH 0.43
39 KRRFPPLH 0.43
40 WRHFPKPH 0.44
41 KRPFPPLH 0.44
42 WMHFPPLH 0.44
43 WRHWPPLH 0.45
44 WRHFPPPF 0.46
45 WRHFPRLH 0.46
46 WRHYPPPH 0.47
47 WRHFPKLH 0.47
48 KRHFPPPH 0.48
49 WMPFPPFH 0.49
50 WRHFPPLF 0.49
51 WMRFPPFH 0.49
52 WRHYPPLH 0.5
53 WRPWPPFH 0.5
54 WRRWPPFH 0.5
55 WRRFPRFH 0.51
56 WRPFPRFH 0.51
57 KRHFPPLH 0.51
58 WRRFPKFH 0.52
59 WRPFPKFH 0.53
60 WRPFPPFF 0.54
61 WRRFPPFF 0.54
62 WRPYPPFH 0.55
63 WRRYPPFH 0.55
64 KRRFPPFH 0.56
65 WMHFPPFH 0.57
66 KRPFPPFH 0.57
67 WRHWPPFH 0.58
68 WRHFPRFH 0.59
69 WRHFPKFH 0.6
70 WRHFPPFF 0.62
71 WRHYPPFH 0.63
72 KRHFPPFH 0.64
73 WMRWPPPH 0.67
74 WMRFPRPH 0.67
75 WMPWPPPH 0.67
76 WMPFPRPH 0.68
77 WMPFPKPH 0.69
78 WRPWPRPH 0.69
79 WMRWPPLH 0.69
80 WRRWPRPH 0.69
81 WMRFPKPH 0.69
82 WMRFPPPF 0.7
83 WMPWPPLH 0.7
84 WMRFPRLH 0.7
85 WRPWPKPH 0.7
86 WRRWPKPH 0.7
87 WMPFPPPF 0.71
88 WMPFPRLH 0.71
89 WRRWPRLH 0.71
90 WMRYPPPH 0.71
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WMRFPPLH

4.49

-9.21

-4.72
2 WRRFPPLH

4.33

-8.72

-4.39
3 WMPFPPLH

4.38

-8.72

-4.34
4 WMRFPPPH

4.01

-8.29

-4.28
5 WRRFPPPH

3.97

-8.23

-4.26
6 WRPYPPPH

3.23

-7.46

-4.23
7 WRRWPPLH

4.42

-8.55

-4.13
8 WRHFPPFH

4.67

-8.77

-4.1
9 WMPFPPPH

4.0

-8.09

-4.09
10 WRRWPPPH

3.83

-7.83

-4.0
11 WRRFPPPF

3.7

-7.69

-3.99
12 WRHFPPLH

4.6

-8.5

-3.9
13 WRPFPPLH

4.46

-8.35

-3.89
14 WRPFPRLH

4.7

-8.41

-3.71
15 WRHFPPPH

3.88

-7.58

-3.7
16 WRRYPPPH

3.83

-7.45

-3.62
17 WRPFPPPH

3.82

-7.43

-3.61
18 WRRFPRPH

4.22

-7.76

-3.54
19 WRRFPPFH

5.13

-8.66

-3.53
20 WRPFPKLH

4.39

-7.86

-3.47
21 WRPWPPLH

4.46

-7.92

-3.46
22 WRPWPPPH

3.72

-7.18

-3.46
23 WRRFPRLH

4.8

-8.17

-3.37
24 WRRFPKPH

4.18

-7.49

-3.31
25 WRPFPPPF

3.94

-7.25

-3.31
26 KRRFPPPH

3.87

-6.98

-3.11
27 WRPFPRPH

4.12

-7.16

-3.04
28 WRPFPKPH

4.09

-6.97

-2.88
29 WRRFPKLH

5.64

-8.23

-2.59
30 WRPFPPFH

7.84

-8.63

-0.79

 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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