Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-15.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
poly-Ala 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 2.412 ΔGbinding 2.231
TOTAL
 4.643
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.331
Van der Waals -4.041 Backbone clash 0.150
Electrostatics 1.186 Helix dipole 0.000
Solvation Polar 5.485 Water bridges 0.000
Solvation Hyd -5.592 Disulfide 0.000
VdW clashes 2.234 Electrost. Kon 0.890
Entropy sc 0.694 Part.cov.bonds 0.000
Entropy mc

3.596

 ΔGstability

85.214
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-15.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-D1_G2B-ABO-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRWWIHKMR 0.0
2 MRFWIHKMR 0.01
3 MRWWIHLMR 0.05
4 MRWWIHRMR 0.06
5 MRFWIHLMR 0.06
6 MRFWIHRMR 0.07
7 MRYWIHKMR 0.1
8 MRWMIHKMR 0.11
9 MRWWIHKDR 0.11
10 MRFMIHKMR 0.11
11 MRFWIHKDR 0.12
12 MEWWIHKMR 0.12
13 MDWWIHKMR 0.12
14 MEFWIHKMR 0.13
15 MDFWIHKMR 0.13
16 MRYWIHLMR 0.14
17 MRYWIHRMR 0.15
18 MRWWIHLDR 0.15
19 MRWMIHLMR 0.15
20 WRWWIHKMR 0.16
21 MRWMIHRMR 0.16
22 MRFWIHLDR 0.16
23 MRFMIHLMR 0.16
24 MRFWIHRDR 0.17
25 MDWWIHLMR 0.17
26 MRWWIHRDR 0.17
27 MEWWIHLMR 0.17
28 MRFMIHRMR 0.17
29 WRFWIHKMR 0.17
30 MDFWIHLMR 0.18
31 MDWWIHRMR 0.18
32 MEWWIHRMR 0.18
33 MRWWIHKKR 0.18
34 MEFWIHLMR 0.18
35 MRFWIHKKR 0.19
36 MDFWIHRMR 0.19
37 MEFWIHRMR 0.19
38 MRYMIHKMR 0.2
39 WRWWIHLMR 0.2
40 MRWMIHKDR 0.21
41 WRFWIHLMR 0.21
42 MRYWIHKDR 0.21
43 WRWWIHRMR 0.21
44 MRFMIHKDR 0.22
45 MRWWIHLKR 0.22
46 WRFWIHRMR 0.22
47 MEYWIHKMR 0.22
48 MDYWIHKMR 0.22
49 KRWWIHKMR 0.23
50 MDWMIHKMR 0.23
51 MDWWIHKDR 0.23
52 MRFWIHLKR 0.23
53 MRWWIHRKR 0.23
54 MEWMIHKMR 0.23
55 MEWWIHKDR 0.23
56 MEFMIHKMR 0.24
57 MDFWIHKDR 0.24
58 MDFMIHKMR 0.24
59 KRFWIHKMR 0.24
60 MRFWIHRKR 0.24
61 MEFWIHKDR 0.24
62 MRYMIHLMR 0.25
63 MRYWIHLDR 0.25
64 WRWMIHKMR 0.26
65 MRWMIHLDR 0.26
66 WRYWIHKMR 0.26
67 MRYMIHRMR 0.26
68 MRYWIHRDR 0.26
69 MRFMIHLDR 0.27
70 KRWWIHLMR 0.27
71 MDYWIHLMR 0.27
72 WRFMIHKMR 0.27
73 MEYWIHLMR 0.27
74 MRWMIHRDR 0.27
75 WRWWIHKDR 0.27
76 WDWWIHKMR 0.28
77 KRFWIHLMR 0.28
78 WRFWIHKDR 0.28
79 MEWWIHLDR 0.28
80 MRFMIHRDR 0.28
81 MRYWIHKKR 0.28
82 MDWMIHLMR 0.28
83 MEWMIHLMR 0.28
84 MRWMIHKKR 0.28
85 WEWWIHKMR 0.28
86 MDWWIHLDR 0.28
87 MDYWIHRMR 0.28
88 MEYWIHRMR 0.28
89 MEWWIHRDR 0.29
90 MDFMIHLMR 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MEWWIHLMR

2.41

-7.06

-4.65
2 MDWWIHLMR

2.59

-7.1

-4.51
3 MEFWIHKMR

1.17

-5.53

-4.36
4 MRFMIHKMR

2.86

-7.19

-4.33
5 MRWWIHLMR

2.63

-6.73

-4.1
6 MDFWIHKMR

2.93

-6.97

-4.04
7 MRFMIHLMR

1.39

-5.42

-4.03
8 MRWWIHRMR

1.1

-5.13

-4.03
9 MRFMIHRMR

3.11

-6.76

-3.65
10 MRWWIHKDR

1.62

-5.21

-3.59
11 MEWWIHKMR

1.84

-5.39

-3.55
12 MRWMIHLMR

2.9

-6.31

-3.41
13 MRYWIHLMR

1.68

-5.04

-3.36
14 MRWWIHKMR

2.23

-5.37

-3.14
15 MRWMIHKMR

3.33

-6.43

-3.1
16 MRWMIHRMR

2.89

-5.94

-3.05
17 MRYWIHKMR

2.75

-5.44

-2.69
18 MRFWIHRMR

2.45

-5.04

-2.59
19 MDWWIHKMR

1.99

-4.42

-2.43
20 WRWWIHKMR

2.89

-5.2

-2.31
21 MRYWIHRMR

2.75

-5.05

-2.3
22 WRFWIHKMR

2.43

-4.61

-2.18
23 MRFWIHRDR

2.83

-4.95

-2.12
24 MRWWIHLDR

2.44

-4.15

-1.71
25 MDFWIHLMR

2.98

-4.6

-1.62
26 MRFWIHKMR

2.57

-4.05

-1.48
27 MRWWIHRDR

1.82

-3.18

-1.36
28 MRFWIHKDR

2.34

-3.69

-1.35
29 MRFWIHLDR

2.39

-3.73

-1.34
30 MRFWIHLMR

2.27

-3.45

-1.18

 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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