Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-9.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 3.968 ΔGbinding 1.190
TOTAL
 5.158
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.441
Van der Waals -4.841 Backbone clash 6.427
Electrostatics 0.189 Helix dipole 0.000
Solvation Polar 5.465 Water bridges -0.040
Solvation Hyd -5.968 Disulfide 0.000
VdW clashes 4.233 Electrost. Kon 0.204
Entropy sc 0.971 Part.cov.bonds 0.000
Entropy mc

3.585

 ΔGstability

39.050
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-9.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_1ZUU-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRRRRH 0.0
2 RRWRRRRH 0.08
3 RRFRRRRH 0.1
4 RRYRRRRH 0.15
5 RLPRRRRH 0.17
6 RRPRERRH 0.19
7 RFPRRRRH 0.22
8 RLWRRRRH 0.24
9 RRWRERRH 0.26
10 RLFRRRRH 0.27
11 RRFRERRH 0.29
12 RFWRRRRH 0.3
13 RLYRRRRH 0.32
14 RFFRRRRH 0.32
15 RRYRERRH 0.34
16 RLPRERRH 0.35
17 RRRRRRRH 0.36
18 RFYRRRRH 0.37
19 RFPRERRH 0.41
20 RLWRERRH 0.43
21 RLFRERRH 0.46
22 RFWRERRH 0.49
23 RFFRERRH 0.51
24 RLYRERRH 0.51
25 RLRRRRRH 0.53
26 RRRRERRH 0.54
27 RHPRRRRH 0.54
28 RWPRRRRH 0.55
29 FRPRRRRH 0.55
30 RFYRERRH 0.56
31 RRPRRRRF 0.56
32 RFRRRRRH 0.58
33 RWWRRRRH 0.62
34 RHWRRRRH 0.62
35 FRWRRRRH 0.63
36 RHFRRRRH 0.64
37 RRWRRRRF 0.64
38 RWFRRRRH 0.65
39 FRFRRRRH 0.65
40 RRFRRRRF 0.66
41 RHYRRRRH 0.69
42 RWYRRRRH 0.7
43 FRYRRRRH 0.7
44 RRYRRRRF 0.71
45 RLRRERRH 0.71
46 FLPRRRRH 0.72
47 RHPRERRH 0.73
48 RLPRRRRF 0.73
49 FRPRERRH 0.74
50 RWPRERRH 0.74
51 RRPRERRF 0.75
52 RFRRERRH 0.77
53 FFPRRRRH 0.78
54 RFPRRRRF 0.79
55 RHWRERRH 0.8
56 FLWRRRRH 0.8
57 RWWRERRH 0.81
58 RLWRRRRF 0.81
59 FLFRRRRH 0.82
60 FRWRERRH 0.82
61 RHFRERRH 0.83
62 RWFRERRH 0.83
63 RLFRRRRF 0.83
64 RRWRERRF 0.83
65 FRFRERRH 0.84
66 FFWRRRRH 0.85
67 RRFRERRF 0.85
68 RFWRRRRF 0.86
69 FLYRRRRH 0.87
70 RLYRRRRF 0.88
71 FFFRRRRH 0.88
72 RHYRERRH 0.88
73 FRYRERRH 0.89
74 RWYRERRH 0.89
75 RFFRRRRF 0.89
76 RHRRRRRH 0.9
77 RRYRERRF 0.9
78 RWRRRRRH 0.91
79 FLPRERRH 0.91
80 FRRRRRRH 0.91
81 RLPRERRF 0.92
82 RRRRRRRF 0.92
83 FFYRRRRH 0.93
84 RFYRRRRF 0.94
85 FFPRERRH 0.96
86 RFPRERRF 0.97
87 FLWRERRH 0.99
88 RLWRERRF 1.0
89 FLFRERRH 1.01
90 RLFRERRF 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RFYRERRH

5.16

-5.99

-0.83
2 RRFRERRH

5.48

-5.84

-0.36
3 RRYRERRH

6.14

-6.38

-0.24
4 RFPRERRH

6.07

-6.17

-0.1
5 RRRRRRRH

5.05

-4.77

0.28
6 RLPRRRRH

5.35

-5.05

0.3
7 RLPRERRH

6.21

-5.78

0.43
8 RFFRRRRH

4.83

-4.29

0.54
9 RLWRRRRH

5.18

-4.63

0.55
10 RLRRRRRH

5.98

-5.42

0.56
11 RWPRRRRH

4.9

-4.22

0.68
12 RLYRERRH

5.46

-4.74

0.72
13 RFFRERRH

5.84

-5.06

0.78
14 RLFRRRRH

5.3

-4.47

0.83
15 RFYRRRRH

5.12

-4.27

0.85
16 RLYRRRRH

5.06

-4.18

0.88
17 RLFRERRH

5.05

-4.1

0.95
18 RFWRERRH

4.68

-3.58

1.1
19 RRPRERRH

5.62

-4.52

1.1
20 RLWRERRH

5.4

-4.26

1.14
21 RRYRRRRH

6.21

-5.05

1.16
22 RFWRRRRH

6.63

-5.36

1.27
23 RRWRRRRH

5.78

-4.49

1.29
24 RRFRRRRH

5.05

-3.71

1.34
25 RRPRRRRH

5.41

-3.94

1.47
26 RHPRRRRH

6.2

-4.7

1.5
27 RFPRRRRH

6.27

-4.63

1.64
28 RRRRERRH

5.03

-3.34

1.69
29 RRWRERRH

5.73

-3.15

2.58
30 FRPRRRRH

6.41

-3.33

3.08

 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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