Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-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 5.312 ΔGbinding -1.751
TOTAL
 3.561
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.173
Van der Waals -1.628 Backbone clash 0.000
Electrostatics -0.059 Helix dipole 0.000
Solvation Polar 1.757 Water bridges 0.000
Solvation Hyd -2.592 Disulfide 0.000
VdW clashes 0.101 Electrost. Kon -0.110
Entropy sc 0.353 Part.cov.bonds 0.000
Entropy mc

1.528

 ΔGstability

28.796
       

Predicted ligand sequences for model [BUD14_1CKA-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).
 
  BUD14_1CKA-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLFEWW 0.0
2 RPLFPWW 0.02
3 RPLFRWW 0.12
4 RRLFEWW 0.13
5 RRLFPWW 0.15
6 RQLFEWW 0.2
7 RKLFEWW 0.23
8 RQLFPWW 0.23
9 RRLFRWW 0.25
10 RKLFPWW 0.25
11 RPLFEWF 0.26
12 RPLFPWF 0.28
13 RPLFHWW 0.31
14 RQLFRWW 0.32
15 RKLFRWW 0.34
16 RPLFKWW 0.35
17 RHLFEWW 0.36
18 RPLFRWF 0.38
19 RHLFPWW 0.39
20 RRLFEWF 0.39
21 RPLFEMW 0.41
22 RRLFPWF 0.41
23 RPLFPMW 0.43
24 RRLFHWW 0.44
25 RQLFEWF 0.46
26 RKLFEWF 0.48
27 RHLFRWW 0.48
28 RQLFPWF 0.48
29 RRLFKWW 0.48
30 RKLFPWF 0.5
31 RQLFHWW 0.51
32 RRLFRWF 0.51
33 RPLFRMW 0.53
34 RKLFHWW 0.53
35 RRLFEMW 0.54
36 RQLFKWW 0.55
37 RRLFPMW 0.56
38 RPLFHWF 0.56
39 RKLFKWW 0.57
40 RQLFRWF 0.58
41 RKLFRWF 0.6
42 RPLFKWF 0.6
43 RHLFEWF 0.62
44 RQLFEMW 0.62
45 RKLFEMW 0.64
46 RQLFPMW 0.64
47 RHLFPWF 0.64
48 RRLFRMW 0.66
49 RKLFPMW 0.66
50 RPLFEMF 0.67
51 RHLFHWW 0.67
52 RPLFPMF 0.69
53 RRLFHWF 0.7
54 RHLFKWW 0.71
55 RPLFHMW 0.72
56 RQLFRMW 0.73
57 RHLFRWF 0.74
58 RRLFKWF 0.74
59 RKLFRMW 0.75
60 RPLFKMW 0.76
61 RQLFHWF 0.77
62 RHLFEMW 0.77
63 RPLFRMF 0.79
64 RKLFHWF 0.79
65 RRLFEMF 0.8
66 RHLFPMW 0.8
67 RQLFKWF 0.81
68 RRLFPMF 0.82
69 RKLFKWF 0.83
70 RRLFHMW 0.85
71 RQLFEMF 0.87
72 RKLFEMF 0.89
73 RQLFPMF 0.89
74 RRLFKMW 0.89
75 RHLFRMW 0.89
76 RKLFPMF 0.91
77 RRLFRMF 0.92
78 RQLFHMW 0.92
79 RHLFHWF 0.93
80 RKLFHMW 0.94
81 RQLFKMW 0.96
82 RHLFKWF 0.97
83 RKLFKMW 0.98
84 RPLFHMF 0.98
85 RQLFRMF 0.99
86 RKLFRMF 1.01
87 RPLFKMF 1.02
88 RHLFEMF 1.03
89 RHLFPMF 1.05
90 RHLFHMW 1.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RHLFEWW

2.65

-8.14

-5.49
2 RRLFKWW

2.83

-8.14

-5.31
3 RRLFPWW

2.55

-7.82

-5.27
4 RQLFEWF

2.93

-8.19

-5.26
5 RPLFEWW

2.62

-7.85

-5.23
6 RKLFRWW

2.61

-7.82

-5.21
7 RRLFRWW

2.39

-7.54

-5.15
8 RHLFPWW

2.64

-7.65

-5.01
9 RQLFRWW

2.58

-7.57

-4.99
10 RRLFHWW

2.83

-7.81

-4.98
11 RKLFEWW

2.9

-7.87

-4.97
12 RQLFEWW

2.84

-7.78

-4.94
13 RPLFEMW

2.97

-7.85

-4.88
14 RHLFRWW

2.84

-7.6

-4.76
15 RQLFPWW

2.76

-7.49

-4.73
16 RPLFPWF

2.7

-7.4

-4.7
17 RKLFPWW

2.86

-7.54

-4.68
18 RRLFEWF

3.55

-8.22

-4.67
19 RPLFRWF

2.69

-7.36

-4.67
20 RPLFKWW

2.85

-7.48

-4.63
21 RPLFRWW

2.72

-7.32

-4.6
22 RKLFEWF

3.55

-8.13

-4.58
23 RPLFPWW

2.86

-7.37

-4.51
24 RRLFEWW

3.42

-7.92

-4.5
25 RPLFHWW

2.89

-7.34

-4.45
26 RPLFEWF

3.68

-7.92

-4.24
27 RPLFPMW

2.72

-6.95

-4.23
28 RRLFPWF

3.72

-7.81

-4.09
29 RQLFPWF

3.32

-7.26

-3.94
30 RKLFPWF

3.79

-7.59

-3.8

 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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