Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-1.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 3.727 ΔGbinding -4.383
TOTAL
 -0.656
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.407
Van der Waals -4.637 Backbone clash 0.460
Electrostatics -0.291 Helix dipole 0.000
Solvation Polar 4.781 Water bridges -0.018
Solvation Hyd -6.735 Disulfide 0.000
VdW clashes 0.186 Electrost. Kon -0.403
Entropy sc 0.960 Part.cov.bonds 0.000
Entropy mc

1.642

 ΔGstability

81.765
       

Predicted ligand sequences for model [BZZ1-D1_2A28-1.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_2A28-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRWFPDRW 0.0
2 RRRRWFRDRW 0.1
3 RRRRWFDDRW 0.13
4 RRRRRFPDRW 0.17
5 RRRRDFPDRW 0.17
6 RRRRWPPDRW 0.21
7 RRRRRFRDRW 0.27
8 RRRRDFRDRW 0.27
9 RRRRRFDDRW 0.3
10 RRRRDFDDRW 0.3
11 RRRRWPRDRW 0.32
12 RRRRWPDDRW 0.35
13 RRRRWRPDRW 0.37
14 RRRRRPPDRW 0.38
15 RRRRDPPDRW 0.38
16 RRRRWFPPRW 0.38
17 RRRRWFPERW 0.41
18 RRRRWFPDRH 0.46
19 RRRRWRRDRW 0.47
20 RQRRWFPDRW 0.47
21 RRRRDPRDRW 0.48
22 RRRRRPRDRW 0.48
23 RRRRWFRPRW 0.49
24 RRRRWRDDRW 0.5
25 RRRRRPDDRW 0.51
26 RRRRDPDDRW 0.51
27 RRRRWFRERW 0.51
28 RRRRWFDPRW 0.52
29 RRRRRRPDRW 0.53
30 RRRRDRPDRW 0.53
31 RRRRWFDERW 0.54
32 RRRRDFPPRW 0.55
33 RRRRRFPPRW 0.55
34 RRRRWFRDRH 0.56
35 RQRRWFRDRW 0.57
36 RRRRRFPERW 0.57
37 RRRRDFPERW 0.57
38 RRRRWFDDRH 0.59
39 RRRRWPPPRW 0.6
40 RQRRWFDDRW 0.6
41 RRRRWPPERW 0.62
42 RRRRRFPDRH 0.62
43 RRRRDFPDRH 0.62
44 RRRRRRRDRW 0.63
45 RRRRDRRDRW 0.63
46 RQRRRFPDRW 0.64
47 RQRRDFPDRW 0.64
48 RRRRRFRPRW 0.65
49 RRRRDFRPRW 0.65
50 RRRRDRDDRW 0.66
51 RRRRRRDDRW 0.67
52 RRRRWPPDRH 0.67
53 RRRRDFRERW 0.68
54 RQRRWPPDRW 0.68
55 RRRRDFDPRW 0.68
56 RRRRRFDPRW 0.68
57 RRRRRFRERW 0.68
58 RRRRWPRPRW 0.7
59 RRRRRFDERW 0.71
60 RRRRDFDERW 0.71
61 RRRRRFRDRH 0.72
62 RRRRWPRERW 0.72
63 RRRRDFRDRH 0.72
64 RRRRWPDPRW 0.73
65 RQRRRFRDRW 0.74
66 RQRRDFRDRW 0.74
67 RRRRRFDDRH 0.75
68 RRRRDFDDRH 0.75
69 RRRRWPDERW 0.75
70 RRRRWRPPRW 0.75
71 RRRRRPPPRW 0.76
72 RRRRDPPPRW 0.76
73 RQRRRFDDRW 0.77
74 RRRRWPRDRH 0.77
75 RRRRWRPERW 0.77
76 RQRRDFDDRW 0.77
77 RQRRWPRDRW 0.78
78 RRRRRPPERW 0.79
79 RRRRDPPERW 0.79
80 RRRRWPDDRH 0.8
81 RQRRWPDDRW 0.82
82 RRRRWRPDRH 0.82
83 RRRRDPPDRH 0.83
84 RRRRRPPDRH 0.83
85 RRRRWFPPRH 0.84
86 RQRRWRPDRW 0.84
87 RQRRDPPDRW 0.85
88 RRRRWRRPRW 0.85
89 RQRRWFPPRW 0.85
90 RQRRRPPDRW 0.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RQRRWFPDRW

5.12

-14.4

-9.28
2 RRRRRFDDRW

4.38

-12.53

-8.15
3 RRRRRFRDRW

4.16

-12.16

-8.0
4 RRRRWPDDRW

4.2

-11.86

-7.66
5 RRRRDPDDRW

3.64

-11.29

-7.65
6 RRRRDPRDRW

3.86

-11.34

-7.48
7 RRRRWRDDRW

5.13

-12.42

-7.29
8 RRRRWPPDRW

3.83

-11.12

-7.29
9 RRRRRPDDRW

3.93

-11.17

-7.24
10 RRRRWFDPRW

5.11

-12.32

-7.21
11 RRRRRRPDRW

6.44

-13.56

-7.12
12 RRRRWRPDRW

4.36

-11.39

-7.03
13 RRRRWFPDRW

4.69

-11.69

-7.0
14 RRRRDFDDRW

4.5

-11.48

-6.98
15 RRRRRPPDRW

3.79

-10.71

-6.92
16 RRRRDRPDRW

5.18

-12.06

-6.88
17 RRRRDFRDRW

4.68

-11.47

-6.79
18 RRRRDFPDRW

4.29

-11.01

-6.72
19 RRRRWFDDRW

4.83

-11.47

-6.64
20 RRRRRPRDRW

4.85

-11.46

-6.61
21 RRRRWFPDRH

4.01

-10.52

-6.51
22 RRRRWFPERW

4.94

-11.4

-6.46
23 RRRRWFRDRW

4.33

-10.74

-6.41
24 RRRRDPPDRW

4.02

-10.31

-6.29
25 RRRRWPRDRW

4.81

-11.0

-6.19
26 RRRRRFPDRW

4.79

-10.96

-6.17
27 RRRRWFRERW

5.38

-11.37

-5.99
28 RRRRWFRPRW

4.95

-10.8

-5.85
29 RRRRWRRDRW

6.34

-11.68

-5.34
30 RRRRWFPPRW

4.83

-10.1

-5.27

 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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