Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 2.142 ΔGbinding -2.315
TOTAL
 -0.173
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.240
Van der Waals -1.846 Backbone clash 0.000
Electrostatics -0.311 Helix dipole 0.000
Solvation Polar 1.802 Water bridges 0.000
Solvation Hyd -2.864 Disulfide 0.000
VdW clashes 0.349 Electrost. Kon -0.408
Entropy sc 0.504 Part.cov.bonds 0.000
Entropy mc

1.494

 ΔGstability

8.884
       

Predicted ligand sequences for model [BBC1_1ZUK2-23.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_1ZUK2-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLMPMF 0.0
2 RPLMRMF 0.05
3 RPLMPMY 0.09
4 RELMPMF 0.11
5 RPLMRMY 0.14
6 RELMRMF 0.16
7 RPRMPMF 0.17
8 RPLMPRF 0.17
9 RELMPMY 0.2
10 RRLMPMF 0.21
11 RPLMPMM 0.21
12 RPLMRRF 0.22
13 RPRMRMF 0.22
14 RELMRMY 0.25
15 RPRMPMY 0.26
16 RPLMPRY 0.26
17 RPLMRMM 0.26
18 RRLMRMF 0.27
19 RELMPRF 0.28
20 RERMPMF 0.28
21 RRLMPMY 0.3
22 RPLMRRY 0.31
23 RPRMRMY 0.31
24 RPLMKMF 0.32
25 RELMPMM 0.32
26 RPLMPFF 0.32
27 RERMRMF 0.33
28 RPRMPRF 0.33
29 RELMRRF 0.33
30 RRLMRMY 0.35
31 RELMPRY 0.37
32 RPLMRFF 0.37
33 RERMPMY 0.37
34 RELMRMM 0.37
35 RRLMPRF 0.38
36 RRRMPMF 0.38
37 RPRMPMM 0.38
38 RPLMPRM 0.38
39 RPLGPMF 0.39
40 RPRMRRF 0.39
41 RPLMKMY 0.41
42 RPLMPFY 0.41
43 RERMRMY 0.42
44 RPRMPRY 0.42
45 RELMRRY 0.42
46 RRLMPMM 0.42
47 RRRMRMF 0.43
48 RRLMRRF 0.43
49 RPRMRMM 0.43
50 RPLMRRM 0.43
51 RELMPFF 0.43
52 RPLGRMF 0.44
53 RELMKMF 0.44
54 RERMPRF 0.45
55 RPLMRFY 0.46
56 RRLMPRY 0.47
57 RRRMPMY 0.47
58 RRLMRMM 0.47
59 RPRMRRY 0.47
60 RPLGPMY 0.48
61 RPRMPFF 0.49
62 RELMPRM 0.49
63 RELMRFF 0.49
64 RPRMKMF 0.49
65 RPLMKRF 0.49
66 RPLRPMF 0.49
67 RERMPMM 0.49
68 RERMRRF 0.5
69 RELGPMF 0.51
70 RRRMRMY 0.52
71 RRLMRRY 0.52
72 RPLMKMM 0.53
73 RELMPFY 0.53
74 RPLGRMY 0.53
75 RPLMPFM 0.53
76 RELMKMY 0.53
77 RERMRMM 0.54
78 RPRMRFF 0.54
79 RRLMPFF 0.54
80 RPLRRMF 0.54
81 RPRMPRM 0.54
82 RRLMKMF 0.54
83 RERMPRY 0.54
84 RELMRRM 0.54
85 RRRMPRF 0.55
86 RELGRMF 0.56
87 RPRGPMF 0.56
88 RPLGPRF 0.56
89 RPRMPFY 0.58
90 RELMRFY 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRLMRMF

2.35

-8.5

-6.15
2 RPLMRMM

3.15

-9.14

-5.99
3 RELMPMM

3.19

-9.04

-5.85
4 RPLMRMF

2.73

-8.46

-5.73
5 RPLMPMF

2.82

-8.44

-5.62
6 RELMRMF

2.48

-8.1

-5.62
7 RRLMRMY

2.66

-8.26

-5.6
8 RPLMPMM

3.09

-8.67

-5.58
9 RRLMPMY

2.87

-8.44

-5.57
10 RPLMPMY

2.63

-8.07

-5.44
11 RRLMPMF

2.7

-8.12

-5.42
12 RPLMPFF

2.82

-8.15

-5.33
13 RELMPMF

2.76

-8.06

-5.3
14 RPLMRMY

2.53

-7.67

-5.14
15 RPLMRRF

2.74

-7.73

-4.99
16 RPLMKMF

3.38

-8.37

-4.99
17 RELMRRF

3.4

-8.34

-4.94
18 RPLMPRF

2.61

-7.5

-4.89
19 RPLMRRY

2.59

-7.46

-4.87
20 RELMPMY

2.68

-7.53

-4.85
21 RPRMRMY

2.67

-7.51

-4.84
22 RELMRMY

2.68

-7.51

-4.83
23 RERMRMF

2.73

-7.19

-4.46
24 RPRMRMF

2.58

-6.77

-4.19
25 RELMPRF

3.29

-7.44

-4.15
26 RERMPMF

3.12

-7.11

-3.99
27 RPRMPMY

2.67

-6.59

-3.92
28 RPLMPRY

3.23

-7.14

-3.91
29 RPRMPMF

2.94

-6.4

-3.46
30 RPRMPRF

3.19

-6.02

-2.83

 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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