Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-28.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala A A
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 6.069 ΔGbinding -2.586
TOTAL
 3.483
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.380
Van der Waals -4.696 Backbone clash 0.109
Electrostatics 0.638 Helix dipole 0.000
Solvation Polar 4.038 Water bridges 0.000
Solvation Hyd -7.491 Disulfide 0.000
VdW clashes 0.258 Electrost. Kon 0.828
Entropy sc 0.349 Part.cov.bonds 0.000
Entropy mc

3.109

 ΔGstability

83.626
       

Predicted ligand sequences for model [BBC1_1FYN-28.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_1FYN-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPRRIRWRKK 0.0
2 FPPRIRWRKK 0.06
3 FPHRIRWRKK 0.08
4 FRRRIRWRKK 0.17
5 FDRRIRWRKK 0.22
6 FRPRIRWRKK 0.23
7 FPRFIRWRKK 0.23
8 FPRRPRWRKK 0.24
9 FPRLIRWRKK 0.24
10 FRHRIRWRKK 0.25
11 FDPRIRWRKK 0.27
12 FPPFIRWRKK 0.28
13 MPRRIRWRKK 0.28
14 FPPRPRWRKK 0.29
15 FPPLIRWRKK 0.3
16 FPRRIRWRNK 0.3
17 FDHRIRWRKK 0.3
18 FPHFIRWRKK 0.31
19 FPHLIRWRKK 0.32
20 FPHRPRWRKK 0.32
21 MPPRIRWRKK 0.34
22 FPPRIRWRNK 0.35
23 MPHRIRWRKK 0.36
24 FPHRIRWRNK 0.38
25 RPRRIRWRKK 0.4
26 FRRFIRWRKK 0.4
27 FPRRIRWRKR 0.41
28 FRRRPRWRKK 0.41
29 FPRRIRWRFK 0.41
30 FRRLIRWRKK 0.41
31 FPRRIRWRKY 0.44
32 FDRFIRWRKK 0.44
33 RPPRIRWRKK 0.45
34 MRRRIRWRKK 0.45
35 FRPFIRWRKK 0.45
36 FDRRPRWRKK 0.45
37 FPRRIPWRKK 0.46
38 FPRFPRWRKK 0.46
39 FPPRIRWRKR 0.46
40 FRPRPRWRKK 0.46
41 FDRLIRWRKK 0.46
42 FPRRIKWRKK 0.46
43 FRPLIRWRKK 0.47
44 FRRRIRWRNK 0.47
45 FPPRIRWRFK 0.47
46 FPRRLRWRKK 0.47
47 FRHFIRWRKK 0.48
48 RPHRIRWRKK 0.48
49 FPRLPRWRKK 0.48
50 FPPRIRWRKY 0.49
51 FPHRIRWRFK 0.49
52 FRHRPRWRKK 0.49
53 FPHRIRWRKR 0.49
54 FRHLIRWRKK 0.49
55 MDRRIRWRKK 0.5
56 FDPFIRWRKK 0.5
57 MPRFIRWRKK 0.51
58 FDPRPRWRKK 0.51
59 FPPRIKWRKK 0.51
60 MRPRIRWRKK 0.51
61 FPPRIPWRKK 0.52
62 MPRRPRWRKK 0.52
63 MPRLIRWRKK 0.52
64 FPPFPRWRKK 0.52
65 FRPRIRWRNK 0.52
66 FDRRIRWRNK 0.52
67 FDPLIRWRKK 0.52
68 FPHRIRWRKY 0.52
69 FDHRPRWRKK 0.53
70 FDHFIRWRKK 0.53
71 MRHRIRWRKK 0.53
72 FPRFIRWRNK 0.53
73 FPPRLRWRKK 0.53
74 FPHRIKWRKK 0.54
75 FPHFPRWRKK 0.54
76 FPPLPRWRKK 0.54
77 FDHLIRWRKK 0.54
78 FPRRPRWRNK 0.54
79 FPRLIRWRNK 0.54
80 FPHRIPWRKK 0.54
81 FRHRIRWRNK 0.55
82 FPHRLRWRKK 0.55
83 MDPRIRWRKK 0.56
84 FPHLPRWRKK 0.56
85 MPPFIRWRKK 0.56
86 RRRRIRWRKK 0.57
87 FDPRIRWRNK 0.57
88 FRRRIRWRKR 0.57
89 MPPRPRWRKK 0.57
90 MPRRIRWRNK 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPHRIRWRKK

7.57

-15.97

-8.4
2 FPRRIRWRFK

7.71

-15.97

-8.26
3 RPRRIRWRKK

6.75

-14.92

-8.17
4 FPRRIRWRKK

7.68

-15.79

-8.11
5 MPPRIRWRKK

7.19

-14.94

-7.75
6 FPRRIRWRKR

8.1

-15.66

-7.56
7 MPRRIRWRKK

7.42

-14.76

-7.34
8 MPHRIRWRKK

8.59

-15.92

-7.33
9 FPPRPRWRKK

8.36

-15.19

-6.83
10 FPPFIRWRKK

5.87

-12.53

-6.66
11 FPRFIRWRKK

5.88

-12.51

-6.63
12 FPPRIRWRKK

8.88

-15.26

-6.38
13 FPHLIRWRKK

6.11

-12.47

-6.36
14 FPHRIRWRNK

8.62

-14.7

-6.08
15 FPHFIRWRKK

6.05

-11.97

-5.92
16 FRRRIRWRKK

8.27

-14.03

-5.76
17 FPRRPRWRKK

9.46

-15.22

-5.76
18 FRRRPRWRKK

8.15

-13.77

-5.62
19 FDPRIRWRKK

8.6

-14.02

-5.42
20 FPRRIRWRNK

10.72

-15.99

-5.27
21 FRHRIRWRKK

10.42

-15.45

-5.03
22 FPPRIRWRNK

9.28

-14.17

-4.89
23 FRRLIRWRKK

6.8

-11.52

-4.72
24 FPHRPRWRKK

11.19

-15.42

-4.23
25 FDHRIRWRKK

9.31

-13.13

-3.82
26 FPPLIRWRKK

8.32

-12.02

-3.7
27 FRPRIRWRKK

10.87

-14.28

-3.41
28 FRRFIRWRKK

9.3

-12.3

-3.0
29 FDRRIRWRKK

10.3

-12.72

-2.42
30 FPRLIRWRKK

9.79

-12.14

-2.35

 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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