Predicted ligand
sequences (modelled structure)


ADAN-name: BUD14_1GCQ-9.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 1.778 ΔGbinding -1.893
TOTAL
-0.115
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.391
Van der Waals -2.583 Backbone clash 0.042
Electrostatics 0.261 Helix dipole 0.000
Solvation Polar 2.372 Water bridges 0.000
Solvation Hyd -3.857 Disulfide 0.000
VdW clashes 0.242 Electrost. Kon 0.365
Entropy sc 0.285 Part.cov.bonds 0.000
Entropy mc

1.906

ΔGstability

25.487

       

Predicted ligand sequences for model [BUD14_1GCQ-9.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_1GCQ-9.PDB  

(data)

# Predicted Sequences Value Calculate
1 RRWWWRFM 0.0
2 RRWWWRWM 0.03
3 RRWWFRFM 0.14
4 RRWWFRWM 0.16
5 RRWWWRFT 0.26
6 RRWWWRWT 0.28
7 RRWWWRQM 0.31
8 RRYWWRFM 0.33
9 RRYWWRWM 0.35
10 RRWWWRFS 0.37
11 RRWFWRFM 0.39
12 RRWWWRWS 0.39
13 RRWWFRFT 0.4
14 RRWFWRWM 0.41
15 RRWWMRFM 0.42
16 RRWWFRWT 0.42
17 RRWWMRWM 0.44
18 RRWLWRFM 0.45
19 RRWWFRQM 0.45
20 RRYWFRFM 0.47
21 RRWLWRWM 0.48
22 RRYWFRWM 0.49
23 RRWWFRFS 0.5
24 RRWFFRFM 0.52
25 RRWWFRWS 0.53
26 RRWFFRWM 0.55
27 RRWWWRQT 0.57
28 RRYWWRFT 0.58
29 RRWLFRFM 0.59
30 RRYWWRWT 0.61
31 RRWLFRWM 0.62
32 RRYWWRQM 0.64
33 RRWFWRFT 0.64
34 RRWFWRWT 0.67
35 RRWWMRFT 0.67
36 RRWWWRQS 0.68
37 RRYWWRFS 0.69
38 RRWWMRWT 0.7
39 RRWFWRQM 0.7
40 RRWLWRFT 0.71
41 RRWWFRQT 0.71
42 RRYFWRFM 0.71
43 RRYWFRFT 0.72
44 RRYWWRWS 0.72
45 RRWWMRQM 0.73
46 RRWLWRWT 0.74
47 RRYFWRWM 0.74
48 RRYWMRFM 0.74
49 RRYWFRWT 0.75
50 RRWFWRFS 0.75
51 RRWLWRQM 0.76
52 RRYWMRWM 0.77
53 RRYWFRQM 0.78
54 RRWFWRWS 0.78
55 RRWFFRFT 0.78
56 RRYLWRFM 0.78
57 RRWWMRFS 0.78
58 RRWFMRFM 0.8
59 RRWWMRWS 0.81
60 RRWWFRQS 0.81
61 RRYLWRWM 0.81
62 RRWFFRWT 0.81
63 RRWLWRFS 0.82
64 RRYWFRFS 0.83
65 RRWFFRQM 0.83
66 RRWFMRWM 0.83
67 RRWLWRWS 0.84
68 RRWLFRFT 0.85
69 RRYFFRFM 0.85
70 RRYWFRWS 0.86
71 RRWLFRWT 0.87
72 RRWLMRFM 0.87
73 RRYFFRWM 0.88
74 RRWFFRFS 0.89
75 RRWLMRWM 0.89
76 RRYWWRQT 0.9
77 RRWLFRQM 0.9
78 RRYLFRFM 0.92
79 RRWFFRWS 0.92
80 RRYLFRWM 0.94
81 RRWLFRFS 0.96
82 RRWFWRQT 0.96
83 RRYFWRFT 0.97
84 RRWLFRWS 0.98
85 RRWWMRQT 0.98
86 RRYWWRQS 1.0
87 RRYFWRWT 1.0
88 RRYWMRFT 1.0
89 RRWLWRQT 1.02
90 RRYFWRQM 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

 

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# Precalculated Models Intraclash ΔGbinding Total
1 RRWWMRFM

1.58

-8.78

-7.2

2 RRWLFRFM

1.51

-8.6

-7.09

3 RRWWFRFM

1.61

-8.62

-7.01

4 RRYWFRFM

1.61

-8.02

-6.41

5 RRYWWRFM

1.62

-7.8

-6.18

6 RRWWFRQM

1.63

-7.72

-6.09

7 RRWLWRFM

1.79

-7.86

-6.07

8 RRWWWRFS

1.69

-7.76

-6.07

9 RRWWFRFS

1.63

-7.67

-6.04

10 RRWWWRFM

2.09

-7.93

-5.84

11 RRWWFRFT

1.7

-7.36

-5.66

12 RRWWWRFT

2.79

-8.39

-5.6

13 RRWWFRWM

3.32

-8.84

-5.52

14 RRWLWRWM

1.72

-7.17

-5.45

15 RRWWWRQT

1.8

-7.23

-5.43

16 RRWWWRWM

2.14

-7.34

-5.2

17 RRWFWRFM

1.93

-7.07

-5.14

18 RRYWFRWM

2.18

-7.12

-4.94

19 RRWFFRFM

2.49

-7.43

-4.94

20 RRWWFRWS

2.44

-7.37

-4.93

21 RRYWWRWM

1.82

-6.64

-4.82

22 RRYWWRFT

1.55

-6.35

-4.8

23 RRWWWRQM

2.53

-7.25

-4.72

24 RRWWMRWM

1.78

-6.37

-4.59

25 RRWFFRWM

2.68

-7.14

-4.46

26 RRWWFRWT

1.52

-5.75

-4.23

27 RRWWWRWT

1.69

-5.59

-3.9

28 RRWFWRWM

2.71

-6.52

-3.81

29 RRYWWRWT

1.55

-5.34

-3.79

30 RRWWWRWS

2.41

-5.13

-2.72

 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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