Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-13.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 0.875 ΔGbinding 2.303
TOTAL
 3.178
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.476
Van der Waals -2.863 Backbone clash 0.021
Electrostatics 0.398 Helix dipole 0.000
Solvation Polar 2.766 Water bridges 0.000
Solvation Hyd -4.307 Disulfide 0.000
VdW clashes 3.182 Electrost. Kon 0.455
Entropy sc 0.237 Part.cov.bonds 0.000
Entropy mc

1.959

 ΔGstability

10.280
       

Predicted ligand sequences for model [BBC1_1TG0-13.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_1TG0-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRFTRR 0.0
2 RPRRFSRR 0.03
3 RPPRFTRR 0.03
4 RHRRFTRR 0.04
5 RHRRFSRR 0.07
6 RPKRFTRR 0.07
7 RPPRFSRR 0.07
8 RHPRFTRR 0.07
9 RHPRFSRR 0.1
10 RPKRFSRR 0.1
11 RHKRFTRR 0.1
12 RPRKFTRR 0.11
13 RPRRGTRR 0.11
14 RHKRFSRR 0.13
15 RPRRGSRR 0.14
16 RPRKFSRR 0.14
17 RPPKFTRR 0.14
18 RHRKFTRR 0.14
19 RHRRGTRR 0.15
20 RPPRGTRR 0.15
21 RHRKFSRR 0.17
22 RPKKFTRR 0.17
23 RPPKFSRR 0.17
24 RPPRGSRR 0.18
25 RHPKFTRR 0.18
26 RHRRGSRR 0.18
27 RPKRGTRR 0.18
28 RHPRGTRR 0.18
29 RPKKFSRR 0.2
30 RHPKFSRR 0.21
31 RPKRGSRR 0.21
32 RHKKFTRR 0.21
33 RHPRGSRR 0.21
34 RPRKGTRR 0.22
35 RHKRGTRR 0.22
36 RHKKFSRR 0.24
37 RPPKGTRR 0.25
38 RHKRGSRR 0.25
39 RPRKGSRR 0.25
40 RHRKGTRR 0.26
41 RPKKGTRR 0.28
42 RPRRYTRR 0.28
43 RHPKGTRR 0.29
44 RPPKGSRR 0.29
45 RHRKGSRR 0.29
46 RPRRFTRK 0.3
47 RPRRYSRR 0.31
48 RHPKGSRR 0.32
49 RHKKGTRR 0.32
50 RPPRYTRR 0.32
51 RHRRYTRR 0.32
52 RPKKGSRR 0.32
53 RPRRFSRK 0.33
54 RPPRFTRK 0.33
55 RVRRFTRR 0.33
56 RHRRFTRK 0.34
57 RHKKGSRR 0.35
58 RHRRYSRR 0.35
59 RHPRYTRR 0.35
60 RPPRYSRR 0.35
61 RPKRYTRR 0.35
62 RVRRFSRR 0.36
63 RPKRFTRK 0.36
64 RPPRFSRK 0.36
65 RVPRFTRR 0.36
66 RHRRFSRK 0.37
67 RHPRFTRK 0.37
68 RPRRFTMR 0.38
69 RPKRYSRR 0.38
70 RHKRYTRR 0.39
71 RVPRFSRR 0.39
72 RVKRFTRR 0.39
73 RPRKYTRR 0.39
74 RHPRYSRR 0.39
75 RHPRFSRK 0.4
76 RPKRFSRK 0.4
77 RHKRFTRK 0.4
78 RPRKFTRK 0.41
79 RPPRFTMR 0.41
80 RPRRFSMR 0.41
81 RPRRGTRK 0.41
82 RPPKYTRR 0.42
83 RPRKYSRR 0.42
84 RHRRFTMR 0.42
85 RHKRYSRR 0.42
86 RHRKYTRR 0.43
87 RHKRFSRK 0.43
88 RVKRFSRR 0.43
89 RPRKFSRK 0.44
90 RVRRGTRR 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPRFSRR

2.24

-9.81

-7.57
2 RPKRFSRR

1.86

-9.3

-7.44
3 RPPRFTRR

2.02

-9.25

-7.23
4 RPPKFSRR

1.51

-8.66

-7.15
5 RPRRFSRR

1.86

-8.75

-6.89
6 RPRKFTRR

2.48

-9.32

-6.84
7 RPKKFSRR

2.1

-8.84

-6.74
8 RPKRFTRR

2.11

-8.45

-6.34
9 RPKKFTRR

2.1

-8.26

-6.16
10 RPRKFSRR

2.21

-8.29

-6.08
11 RHRRFSRR

2.57

-8.45

-5.88
12 RPPKFTRR

1.84

-7.62

-5.78
13 RPRRGSRR

2.07

-7.75

-5.68
14 RHPRFSRR

2.4

-8.05

-5.65
15 RHRKFTRR

2.1

-7.72

-5.62
16 RPRRFTRR

2.93

-8.44

-5.51
17 RPPRGSRR

2.74

-8.15

-5.41
18 RPRRGTRR

1.93

-7.33

-5.4
19 RHRKFSRR

2.49

-7.79

-5.3
20 RPKRGTRR

2.18

-7.43

-5.25
21 RHKRFSRR

2.05

-7.23

-5.18
22 RHPRFTRR

2.24

-7.3

-5.06
23 RHPKFTRR

2.17

-7.21

-5.04
24 RHPKFSRR

2.61

-7.5

-4.89
25 RPPRGTRR

2.05

-6.77

-4.72
26 RHRRFTRR

2.2

-6.9

-4.7
27 RHKRFTRR

4.59

-9.18

-4.59
28 RHRRGSRR

2.22

-6.71

-4.49
29 RHRRGTRR

2.44

-6.46

-4.02
30 RHPRGTRR

2.84

-5.99

-3.15

 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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