Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-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 13.708 ΔGbinding -1.156
TOTAL
 12.552
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 2.274
Van der Waals -5.919 Backbone clash 0.098
Electrostatics -0.500 Helix dipole 0.000
Solvation Polar 5.393 Water bridges 0.000
Solvation Hyd -9.342 Disulfide 0.000
VdW clashes 5.328 Electrost. Kon -0.658
Entropy sc 0.829 Part.cov.bonds 0.000
Entropy mc

2.713

 ΔGstability

76.329
       

Predicted ligand sequences for model [BBC1_1FYN-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).
 
  BBC1_1FYN-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 MYWRKKWDHP 0.0
2 IYWRKKWDHP 0.02
3 MYWRWKWDHP 0.09
4 IYWRWKWDHP 0.11
5 MYWRKKWEHP 0.15
6 IYWRKKWEHP 0.17
7 MYWRKKRDHP 0.18
8 IYWRKKRDHP 0.2
9 MYWRKKWDSP 0.2
10 MYWRKKWPHP 0.21
11 IYWRKKWDSP 0.22
12 IYWRKKWPHP 0.23
13 MYWRWKWEHP 0.24
14 IYWRWKWEHP 0.26
15 MYFRKKWDHP 0.27
16 MYWRWKRDHP 0.28
17 MYWRKFWDHP 0.28
18 IYFRKKWDHP 0.29
19 MYWRWKWDSP 0.29
20 IYWRWKRDHP 0.29
21 MYWRKMWDHP 0.3
22 IYWRKFWDHP 0.3
23 MYWRKKWDPP 0.3
24 MYWRWKWPHP 0.3
25 IYWRWKWDSP 0.31
26 IYWRWKWPHP 0.32
27 IYWRKKWDPP 0.32
28 IYWRKMWDHP 0.32
29 MYWRKKREHP 0.33
30 IYWRKKREHP 0.35
31 MYWRKKWESP 0.35
32 IYWRKKWESP 0.37
33 MYWRWFWDHP 0.37
34 MYFRWKWDHP 0.37
35 MYWRKKRDSP 0.38
36 IYFRWKWDHP 0.39
37 MYWRKKRPHP 0.39
38 MYWRWKWDPP 0.39
39 IYWRWFWDHP 0.39
40 MYWRWMWDHP 0.39
41 IYWRKKRDSP 0.4
42 MYWRKKWPSP 0.41
43 IYWRWMWDHP 0.41
44 IYWRWKWDPP 0.41
45 IYWRKKRPHP 0.41
46 MYFRKKWEHP 0.42
47 MYWRKFWEHP 0.43
48 MYWRWKREHP 0.43
49 IYWRKKWPSP 0.43
50 MYWRWKWESP 0.44
51 IYFRKKWEHP 0.44
52 IYWRWKREHP 0.44
53 MYWRKKWEPP 0.45
54 IYWRKFWEHP 0.45
55 MYWRKMWEHP 0.45
56 MYWRKFRDHP 0.46
57 MYFRKKRDHP 0.46
58 IYWRWKWESP 0.46
59 MYFRKKWDSP 0.47
60 IYWRKKWEPP 0.47
61 MYWRWKRDSP 0.47
62 IYWRKMWEHP 0.47
63 MYFRKKWPHP 0.48
64 MYWRKMRDHP 0.48
65 MYWRKKRDPP 0.48
66 IYFRKKRDHP 0.48
67 MYWRKFWDSP 0.48
68 IYWRKFRDHP 0.48
69 MYWRWKRPHP 0.49
70 IYFRKKWDSP 0.49
71 MYWRKFWPHP 0.49
72 IYWRWKRDSP 0.49
73 MYWRKMWDSP 0.5
74 IYWRKKRDPP 0.5
75 IYWRKMRDHP 0.5
76 MYWRWKWPSP 0.5
77 IYWRKFWDSP 0.5
78 IYFRKKWPHP 0.5
79 IYWRKFWPHP 0.51
80 MYWRKMWPHP 0.51
81 MYWRKKWPPP 0.51
82 IYWRWKRPHP 0.51
83 IYWRWKWPSP 0.52
84 MYFRWKWEHP 0.52
85 IYWRKMWDSP 0.52
86 MYWRWFWEHP 0.52
87 IYWRKMWPHP 0.53
88 IYWRKKWPPP 0.53
89 MYWRKKRESP 0.53
90 IYFRWKWEHP 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MYWRKKRDHP

7.36

-15.63

-8.27
2 MYWRKKREHP

7.63

-14.52

-6.89
3 IYWRKKREHP

7.53

-13.57

-6.04
4 MYWRKMWDHP

7.1

-12.94

-5.84
5 IYWRKKWEHP

7.88

-13.52

-5.64
6 IYWRKKWDPP

7.17

-12.57

-5.4
7 IYFRKKWDHP

8.07

-13.39

-5.32
8 IYWRKKWDHP

7.4

-12.49

-5.09
9 MYWRWKWPHP

7.4

-12.34

-4.94
10 MYWRWKWDHP

7.48

-12.41

-4.93
11 IYWRKKRDHP

7.99

-12.91

-4.92
12 MYWRKKWEHP

7.62

-12.34

-4.72
13 MYWRWKWDSP

7.25

-11.91

-4.66
14 MYWRKKWPHP

6.94

-11.55

-4.61
15 IYWRKFWDHP

7.89

-11.94

-4.05
16 MYWRKKWDPP

6.86

-10.81

-3.95
17 MYWRKKWDSP

7.26

-11.02

-3.76
18 IYWRKMWDHP

7.31

-10.98

-3.67
19 IYWRWKRDHP

8.75

-12.29

-3.54
20 IYWRKKWPHP

7.62

-11.15

-3.53
21 MYWRKFWDHP

8.62

-12.11

-3.49
22 IYWRWKWPHP

7.53

-10.89

-3.36
23 IYWRWKWEHP

6.77

-10.12

-3.35
24 MYFRKKWDHP

7.81

-11.11

-3.3
25 IYWRKKWDSP

7.02

-10.31

-3.29
26 MYWRKKWDHP

7.45

-10.73

-3.28
27 MYWRWKWEHP

7.54

-10.75

-3.21
28 IYWRWKWDSP

7.58

-9.45

-1.87
29 MYWRWKRDHP

7.81

-8.94

-1.13
30 IYWRWKWDHP

8.41

-9.36

-0.95

 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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