Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-8.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 5.501 ΔGbinding -1.124
TOTAL
 4.377
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.588
Van der Waals -3.067 Backbone clash 0.034
Electrostatics 0.339 Helix dipole 0.000
Solvation Polar 2.706 Water bridges 0.000
Solvation Hyd -4.584 Disulfide 0.000
VdW clashes 0.147 Electrost. Kon 0.384
Entropy sc 0.116 Part.cov.bonds 0.000
Entropy mc

2.246

 ΔGstability

30.619
       

Predicted ligand sequences for model [BUD14_1CKA-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 WFYYLFPR 0.0
2 EFYYLFPR 0.0
3 DFYYLFPR 0.01
4 WFYYWFPR 0.08
5 EFYYWFPR 0.08
6 DFYYWFPR 0.09
7 EFYYLFER 0.14
8 WFYYLFER 0.14
9 DFYYLFER 0.15
10 EFYYLYPR 0.19
11 WFYYLYPR 0.19
12 DFYYLYPR 0.2
13 EFYYWFER 0.21
14 WFYYWFER 0.21
15 DFYYWFER 0.22
16 EFYWLFPR 0.23
17 WFYWLFPR 0.24
18 DFYWLFPR 0.25
19 EFYYLWPR 0.26
20 WFYYLWPR 0.26
21 DFYYLWPR 0.27
22 EFYYWYPR 0.27
23 WFYYWYPR 0.27
24 DFYYWYPR 0.28
25 EFYWWFPR 0.31
26 WFYWWFPR 0.31
27 DFYWWFPR 0.32
28 EFYYLFFR 0.32
29 WFYYLFFR 0.32
30 DFYYLFFR 0.33
31 EFYYWWPR 0.33
32 EFYYLYER 0.33
33 WFYYLYER 0.33
34 WFYYWWPR 0.34
35 DFYYLYER 0.34
36 DFYYWWPR 0.34
37 WFYFLFPR 0.35
38 EFYFLFPR 0.35
39 DFYFLFPR 0.36
40 WFYWLFER 0.37
41 EFYWLFER 0.37
42 DFYWLFER 0.38
43 WFYYLWER 0.39
44 EFYYLWER 0.39
45 WFYYWFFR 0.4
46 ERYYLFPR 0.4
47 WRYYLFPR 0.4
48 DFYYLWER 0.4
49 EFYYWFFR 0.4
50 WFYYWYER 0.4
51 EFYYWYER 0.4
52 WFYYMFPR 0.41
53 DFYYWYER 0.41
54 DFYYWFFR 0.41
55 EFYYMFPR 0.41
56 DRYYLFPR 0.41
57 EFYWLYPR 0.42
58 DFYYMFPR 0.42
59 WFYFWFPR 0.43
60 WFYWLYPR 0.43
61 EFYFWFPR 0.43
62 DFYWLYPR 0.44
63 DFYFWFPR 0.44
64 WFYWWFER 0.45
65 EFYWWFER 0.45
66 DFYWWFER 0.46
67 EFYYWWER 0.47
68 WFYYWWER 0.47
69 ERYYWFPR 0.48
70 WFPYLFPR 0.48
71 WRYYWFPR 0.48
72 DFYYWWER 0.48
73 EFPYLFPR 0.48
74 DFPYLFPR 0.49
75 WFYFLFER 0.49
76 DRYYWFPR 0.49
77 EFYWLWPR 0.49
78 WFYWLWPR 0.49
79 EFYFLFER 0.49
80 WFYWWYPR 0.5
81 DFYFLFER 0.5
82 EFYWWYPR 0.5
83 DFYWLWPR 0.5
84 EFYYLYFR 0.51
85 DFYWWYPR 0.51
86 WFYYLYFR 0.51
87 DFYYLYFR 0.52
88 EFYFLYPR 0.54
89 EFYYMFER 0.54
90 WRYYLFER 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WFYYLYPR

3.89

-7.58

-3.69
2 DFYYLWPR

3.65

-6.75

-3.1
3 DFYYLFPR

3.76

-6.75

-2.99
4 WFYWLFPR

4.01

-6.99

-2.98
5 DFYYLYPR

4.01

-6.84

-2.83
6 EFYYLFFR

3.87

-6.66

-2.79
7 DFYYLFER

4.03

-6.81

-2.78
8 EFYYLFER

4.02

-6.79

-2.77
9 DFYWLFPR

4.39

-7.16

-2.77
10 EFYYWYPR

3.9

-6.61

-2.71
11 WFYYLFPR

4.0

-6.7

-2.7
12 EFYWLFPR

4.07

-6.71

-2.64
13 EFYYLYPR

3.98

-6.53

-2.55
14 DFYWWFPR

3.83

-6.33

-2.5
15 EFYWWFPR

4.1

-6.59

-2.49
16 EFYYLFPR

3.89

-6.26

-2.37
17 WFYYLFER

4.22

-6.54

-2.32
18 EFYYWFPR

3.77

-6.04

-2.27
19 DFYYWYPR

3.78

-6.01

-2.23
20 EFYYLWPR

3.74

-5.97

-2.23
21 DFYYLFFR

4.14

-5.93

-1.79
22 WFYYWFPR

4.39

-6.0

-1.61
23 EFYYWFER

3.8

-5.38

-1.58
24 WFYWWFPR

5.34

-6.63

-1.29
25 WFYYLWPR

4.4

-5.64

-1.24
26 DFYYWFER

4.42

-4.87

-0.45
27 WFYYWYPR

4.09

-4.47

-0.38
28 DFYYWFPR

4.29

-4.65

-0.36
29 WFYYLFFR

4.08

-4.06

0.02
30 WFYYWFER

4.68

-4.49

0.19

 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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