Predicted ligand
sequences (modelled structure)


ADAN-name: BUD14_1SEM-12.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 0.586 ΔGbinding -1.686
TOTAL
-1.100
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.405
Van der Waals -1.987 Backbone clash -0.000
Electrostatics -0.125 Helix dipole 0.000
Solvation Polar 1.925 Water bridges -0.065
Solvation Hyd -2.943 Disulfide 0.000
VdW clashes 0.003 Electrost. Kon -0.130
Entropy sc 0.118 Part.cov.bonds 0.000
Entropy mc

1.113

ΔGstability

45.714

       

Predicted ligand sequences for model [BUD14_1SEM-12.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_1SEM-12.PDB  

(data)

# Predicted Sequences Value Calculate
1 RRMRRWWK 0.0
2 RRWRRWWK 0.02
3 RRMRRWWR 0.04
4 RRMRPWWK 0.07
5 RRWRRWWR 0.07
6 RRWRPWWK 0.09
7 RRMRKWWK 0.1
8 RRMRPWWR 0.11
9 RRWRKWWK 0.12
10 RRWRPWWR 0.13
11 RRMRKWWR 0.14
12 YRMRRWWK 0.14
13 KRMRRWWK 0.14
14 RRWRKWWR 0.16
15 YRWRRWWK 0.16
16 KRWRRWWK 0.16
17 YRMRRWWR 0.18
18 KRMRRWWR 0.18
19 REMRRWWK 0.2
20 KRWRRWWR 0.2
21 YRMRPWWK 0.21
22 KRMRPWWK 0.21
23 YRWRRWWR 0.21
24 REWRRWWK 0.22
25 YRWRPWWK 0.23
26 KRWRPWWK 0.23
27 KRMRKWWK 0.24
28 YRMRKWWK 0.24
29 REMRRWWR 0.24
30 YRMRPWWR 0.25
31 RHMRRWWK 0.25
32 KRMRPWWR 0.25
33 KRWRKWWK 0.26
34 YRWRKWWK 0.26
35 REWRRWWR 0.26
36 YRWRPWWR 0.27
37 RHWRRWWK 0.27
38 REMRPWWK 0.27
39 KRWRPWWR 0.27
40 KRMRKWWR 0.28
41 YRMRKWWR 0.28
42 REMRKWWK 0.29
43 RHMRRWWR 0.29
44 REWRPWWK 0.29
45 KRWRKWWR 0.3
46 YRWRKWWR 0.3
47 RHWRRWWR 0.31
48 REMRPWWR 0.31
49 RHMRPWWK 0.31
50 REWRKWWK 0.32
51 REWRPWWR 0.33
52 REMRKWWR 0.34
53 RHWRPWWK 0.34
54 YEMRRWWK 0.34
55 RHMRKWWK 0.34
56 KEMRRWWK 0.34
57 REWRKWWR 0.36
58 KEWRRWWK 0.36
59 YEWRRWWK 0.36
60 RHWRKWWK 0.36
61 RHMRPWWR 0.36
62 RHWRPWWR 0.38
63 YEMRRWWR 0.38
64 KEMRRWWR 0.38
65 KHMRRWWK 0.39
66 YHMRRWWK 0.39
67 RHMRKWWR 0.39
68 KEWRRWWR 0.4
69 YEWRRWWR 0.4
70 RRMRRWRK 0.4
71 YHWRRWWK 0.41
72 YEMRPWWK 0.41
73 KEMRPWWK 0.41
74 RHWRKWWR 0.41
75 KHWRRWWK 0.41
76 RRWRRWRK 0.42
77 RRMRRWWH 0.42
78 YEWRPWWK 0.43
79 YEMRKWWK 0.43
80 YHMRRWWR 0.43
81 KEMRKWWK 0.43
82 KHMRRWWR 0.43
83 KEWRPWWK 0.43
84 RRWRRWWH 0.44
85 RRMRRWRR 0.44
86 YHWRRWWR 0.45
87 KHMRPWWK 0.45
88 YHMRPWWK 0.45
89 YEMRPWWR 0.45
90 RRFRRWWK 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

 

(Help)

# Precalculated Models Intraclash ΔGbinding Total
1 RRMRPWWK

2.25

-9.33

-7.08

2 RRMRPWWR

2.09

-8.91

-6.82

3 YRMRRWWK

2.02

-8.83

-6.81

4 RRMRRWWR

2.23

-9.02

-6.79

5 KRMRPWWK

2.58

-9.04

-6.46

6 RRMRKWWR

2.32

-8.75

-6.43

7 YRMRPWWK

2.42

-8.71

-6.29

8 YRMRRWWR

2.3

-8.59

-6.29

9 RRMRRWWK

2.5

-8.78

-6.28

10 REMRRWWR

2.02

-8.04

-6.02

11 KRMRKWWK

2.23

-8.24

-6.01

12 REMRRWWK

2.69

-8.49

-5.8

13 YRMRKWWK

1.72

-7.52

-5.8

14 RRMRKWWK

2.57

-8.36

-5.79

15 RRWRRWWK

2.83

-8.57

-5.74

16 KRMRRWWR

2.85

-8.54

-5.69

17 REWRRWWK

2.55

-7.99

-5.44

18 RRWRRWWR

2.64

-8.03

-5.39

19 RRWRPWWK

2.38

-7.71

-5.33

20 RRWRKWWK

2.36

-7.63

-5.27

21 KRWRRWWR

3.41

-8.65

-5.24

22 RRWRPWWR

2.59

-7.77

-5.18

23 RRWRKWWR

2.49

-7.62

-5.13

24 YRWRRWWK

2.54

-7.61

-5.07

25 YRMRPWWR

3.07

-8.12

-5.05

26 YRWRRWWR

2.68

-7.7

-5.02

27 YRWRPWWK

2.67

-7.35

-4.68

28 KRWRRWWK

2.92

-7.12

-4.2

29 KRMRRWWK

2.18

-5.99

-3.81

30 KRWRPWWK

2.71

-5.98

-3.27

 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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