Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-29.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 1.113 ΔGbinding 1.875
TOTAL
 2.988
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.385
Van der Waals -4.083 Backbone clash 0.000
Electrostatics 0.161 Helix dipole 0.000
Solvation Polar 4.415 Water bridges -0.019
Solvation Hyd -5.525 Disulfide 0.000
VdW clashes 4.973 Electrost. Kon 0.162
Entropy sc 0.579 Part.cov.bonds 0.000
Entropy mc

2.103

 ΔGstability

54.556
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-29.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_G2B-ABO-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DFREFRPMIH 0.0
2 DFRPFRPMIH 0.02
3 DFFEFRPMIH 0.07
4 DFRETRPMIH 0.08
5 EFREFRPMIH 0.08
6 DFFPFRPMIH 0.09
7 EFRPFRPMIH 0.1
8 DFRPTRPMIH 0.1
9 DFREWRPMIH 0.1
10 DFRPWRPMIH 0.12
11 DFRFFRPMIH 0.13
12 EFFEFRPMIH 0.15
13 DFFETRPMIH 0.15
14 DFREFRPMIR 0.15
15 EFRETRPMIH 0.16
16 DFFEWRPMIH 0.17
17 DFFPTRPMIH 0.17
18 DFRPFRPMIR 0.17
19 EFFPFRPMIH 0.17
20 EFRPTRPMIH 0.18
21 DMREFRPMIH 0.18
22 EFREWRPMIH 0.18
23 KFREFRPMIH 0.19
24 DFFPWRPMIH 0.19
25 DFFFFRPMIH 0.19
26 DFRFTRPMIH 0.2
27 DMRPFRPMIH 0.2
28 EFRPWRPMIH 0.2
29 EFRFFRPMIH 0.21
30 DFREFRFMIH 0.21
31 KFRPFRPMIH 0.21
32 DFREFRRMIH 0.21
33 DFREFRPMIK 0.21
34 DFFEFRPMIR 0.22
35 DFRETRPMIR 0.23
36 DFRPFRRMIH 0.23
37 EFFETRPMIH 0.23
38 DFRPFRPMIK 0.23
39 EFREFRPMIR 0.23
40 DFRFWRPMIH 0.23
41 DFRPFRFMIH 0.23
42 EFFPTRPMIH 0.24
43 DMFEFRPMIH 0.24
44 DFFPFRPMIR 0.24
45 EFRPFRPMIR 0.25
46 KFFEFRPMIH 0.25
47 DMRETRPMIH 0.25
48 EFFEWRPMIH 0.25
49 DFRPTRPMIR 0.25
50 EMREFRPMIH 0.26
51 DFREWRPMIR 0.26
52 DMFPFRPMIH 0.26
53 EFFPWRPMIH 0.27
54 EFFFFRPMIH 0.27
55 KFRETRPMIH 0.27
56 KFFPFRPMIH 0.27
57 DFFFTRPMIH 0.27
58 DMRPTRPMIH 0.27
59 DFRFFRPMIR 0.28
60 DFRPWRPMIR 0.28
61 KFRPTRPMIH 0.28
62 DFFEFRRMIH 0.28
63 DFFEFRFMIH 0.28
64 DFFEFRPMIK 0.28
65 EFRFTRPMIH 0.28
66 DMREWRPMIH 0.28
67 EMRPFRPMIH 0.28
68 KFREWRPMIH 0.29
69 EFREFRFMIH 0.29
70 DFRETRFMIH 0.29
71 EFREFRRMIH 0.29
72 DFRETRPMIK 0.29
73 EFREFRPMIK 0.29
74 DFRETRRMIH 0.29
75 EFFEFRPMIR 0.3
76 DFFPFRRMIH 0.3
77 DFFETRPMIR 0.3
78 DFFFWRPMIH 0.3
79 DMRPWRPMIH 0.3
80 DMRFFRPMIH 0.3
81 DFFPFRPMIK 0.3
82 DFFPFRFMIH 0.3
83 DFRPTRRMIH 0.31
84 EFRPFRPMIK 0.31
85 EFRETRPMIR 0.31
86 EFRPFRFMIH 0.31
87 KFRFFRPMIH 0.31
88 EFRFWRPMIH 0.31
89 DFRPTRPMIK 0.31
90 DFRPTRFMIH 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DFRPFRPMIR

2.14

-7.74

-5.6
2 EFFPFRPMIH

1.73

-7.28

-5.55
3 DFFFFRPMIH

1.89

-7.25

-5.36
4 DFFEFRPMIH

1.84

-7.17

-5.33
5 DFFPWRPMIH

1.67

-6.98

-5.31
6 DFREWRPMIH

2.1

-7.38

-5.28
7 EFRPFRPMIH

2.12

-7.32

-5.2
8 DFFEWRPMIH

1.54

-6.73

-5.19
9 EFREWRPMIH

2.08

-7.27

-5.19
10 DFRPFRPMIH

2.08

-7.23

-5.15
11 DMREFRPMIH

2.25

-7.38

-5.13
12 EFREFRPMIH

2.11

-7.11

-5.0
13 DFFPFRPMIH

2.0

-6.97

-4.97
14 DFREFRFMIH

2.14

-7.1

-4.96
15 EFRPWRPMIH

1.78

-6.49

-4.71
16 DFRPWRPMIH

2.58

-7.26

-4.68
17 DFRPTRPMIH

1.91

-6.59

-4.68
18 EFFEFRPMIH

2.19

-6.86

-4.67
19 DMRPFRPMIH

2.34

-6.98

-4.64
20 DFRFFRPMIH

2.08

-6.72

-4.64
21 DFFETRPMIH

1.66

-6.24

-4.58
22 DFFPTRPMIH

1.79

-6.32

-4.53
23 EFRFFRPMIH

2.29

-6.72

-4.43
24 DFRETRPMIH

2.42

-6.58

-4.16
25 DFREFRPMIH

2.59

-6.65

-4.06
26 EFRPTRPMIH

1.94

-5.89

-3.95
27 DFRFTRPMIH

2.18

-5.98

-3.8
28 KFREFRPMIH

2.05

-5.82

-3.77
29 EFRETRPMIH

2.47

-6.07

-3.6
30 DFREFRPMIR

3.35

-6.73

-3.38

 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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