Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_2SRC-8.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 2.571 ΔGbinding 0.651
TOTAL
 3.222
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.137
Van der Waals -3.820 Backbone clash 0.004
Electrostatics 0.457 Helix dipole 0.000
Solvation Polar 3.764 Water bridges 0.000
Solvation Hyd -5.668 Disulfide 0.000
VdW clashes 2.669 Electrost. Kon 0.602
Entropy sc 0.641 Part.cov.bonds 0.000
Entropy mc

2.144

 ΔGstability

90.200
       

Predicted ligand sequences for model [BBC1_2SRC-8.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_2SRC-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWIPRFNR 0.0
2 DWIPRFNR 0.02
3 EWIPRFNF 0.1
4 DWIPRFNF 0.12
5 FWIPRFNR 0.12
6 EWPPRFNR 0.15
7 EWIPRLNR 0.16
8 DWPPRFNR 0.17
9 DWIPRLNR 0.18
10 FWIPRFNF 0.22
11 EWPPRFNF 0.26
12 EWIPRLNF 0.26
13 EWIFRFNR 0.27
14 FWPPRFNR 0.27
15 FWIPRLNR 0.27
16 DWPPRFNF 0.28
17 DWIPRLNF 0.28
18 EWIKRFNR 0.28
19 DWIFRFNR 0.29
20 DWIKRFNR 0.3
21 EWPPRLNR 0.31
22 DWPPRLNR 0.33
23 EWIPRFHR 0.34
24 EWIPRFNK 0.34
25 DWIPRFNK 0.36
26 DWIPRFHR 0.36
27 FWPPRFNF 0.37
28 EWIFRFNF 0.38
29 FWIPRLNF 0.38
30 FWIFRFNR 0.39
31 EWIKRFNF 0.39
32 DWIFRFNF 0.4
33 FWIKRFNR 0.4
34 EWPPRLNF 0.41
35 EWVPRFNR 0.41
36 DWIKRFNF 0.41
37 EWPFRFNR 0.42
38 DWVPRFNR 0.43
39 DWPPRLNF 0.43
40 EWIFRLNR 0.43
41 EWPKRFNR 0.43
42 EWIPRFPR 0.43
43 FWPPRLNR 0.43
44 EWIPRFHF 0.44
45 DWPFRFNR 0.44
46 EWIKRLNR 0.44
47 DWPKRFNR 0.45
48 FWIPRFHR 0.45
49 DWIPRFPR 0.45
50 DWIFRLNR 0.45
51 DWIPRFHF 0.46
52 FWIPRFNK 0.46
53 DWIKRLNR 0.46
54 EWPPRFNK 0.49
55 EWIPRYNR 0.49
56 EWPPRFHR 0.49
57 EWIPRLHR 0.49
58 FWIFRFNF 0.49
59 EWIPRLNK 0.49
60 FWIKRFNF 0.5
61 DWIPRLHR 0.51
62 DWPPRFNK 0.51
63 DWIPRYNR 0.51
64 EWVPRFNF 0.51
65 DWPPRFHR 0.51
66 DWIPRLNK 0.52
67 FWVPRFNR 0.52
68 DWVPRFNF 0.53
69 EWIFRLNF 0.53
70 FWPPRLNF 0.53
71 EWPFRFNF 0.53
72 FWPFRFNR 0.54
73 EWPKRFNF 0.54
74 EWIPRFPF 0.54
75 EWIKRLNF 0.54
76 FWIFRLNR 0.54
77 FWIPRFPR 0.55
78 DWPFRFNF 0.55
79 DWIFRLNF 0.55
80 FWPKRFNR 0.55
81 FWIKRLNR 0.55
82 DWPKRFNF 0.56
83 EWVPRLNR 0.56
84 DWIPRFPF 0.56
85 FWIPRFHF 0.56
86 DWIKRLNF 0.56
87 EWPPRFPR 0.58
88 EWPFRLNR 0.58
89 DWVPRLNR 0.58
90 EWIPRYNF 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EWPPRFNR

3.62

-6.01

-2.39
2 DWPPRFNR

4.72

-6.86

-2.14
3 FWPPRFNR

5.39

-6.97

-1.58
4 DWPPRLNR

4.93

-6.45

-1.52
5 EWPPRLNR

4.73

-6.1

-1.37
6 EWIPRFHR

4.45

-5.02

-0.57
7 DWIFRFNR

4.05

-4.34

-0.29
8 DWPPRFNF

5.49

-5.6

-0.11
9 EWIPRLNR

4.75

-4.76

-0.01
10 EWIPRFNR

5.5

-5.33

0.17
11 DWIKRFNR

5.2

-4.95

0.25
12 FWIFRFNR

4.03

-3.75

0.28
13 EWPPRFNF

5.76

-5.43

0.33
14 DWIPRFHR

4.99

-4.59

0.4
15 DWIPRLNR

5.66

-5.24

0.42
16 EWIFRFNF

5.84

-5.39

0.45
17 DWIPRFNR

5.73

-5.19

0.54
18 FWPPRFNF

5.88

-5.23

0.65
19 EWIKRFNR

5.58

-4.84

0.74
20 FWIPRLNF

6.51

-5.74

0.77
21 FWIPRFNR

6.46

-5.68

0.78
22 DWIPRFNK

5.32

-4.46

0.86
23 FWIPRFNF

6.86

-5.99

0.87
24 FWIPRLNR

5.79

-4.9

0.89
25 EWIFRFNR

5.1

-3.78

1.32
26 DWIPRFNF

6.45

-5.06

1.39
27 DWIPRLNF

5.79

-4.37

1.42
28 EWIPRFNK

5.72

-4.05

1.67
29 EWIPRLNF

5.63

-3.88

1.75
30 EWIPRFNF

6.1

-4.35

1.75

 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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