Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-20.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
poly-Ala A A
A
A
 A
G
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 12.458 ΔGbinding -3.425
TOTAL
 9.033
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.215
Van der Waals -4.413 Backbone clash 0.110
Electrostatics 0.520 Helix dipole 0.000
Solvation Polar 3.626 Water bridges 0.000
Solvation Hyd -7.012 Disulfide 0.000
VdW clashes 0.710 Electrost. Kon 0.614
Entropy sc 0.508 Part.cov.bonds 0.000
Entropy mc

3.081

 ΔGstability

76.086
       

Predicted ligand sequences for model [BBC1_1FYN-20.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-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPPKNGRWR 0.0
2 MPPKNGRWY 0.12
3 MKPKNGRWR 0.12
4 MDPKNGRWR 0.14
5 MPFKNGRWR 0.19
6 LPPKNGRWR 0.2
7 MKPKNGRWY 0.24
8 MPPKPGRWR 0.26
9 MPKKNGRWR 0.26
10 MDPKNGRWY 0.26
11 RPPKNGRWR 0.29
12 MPFKNGRWY 0.31
13 MPPKNGRWF 0.31
14 MKFKNGRWR 0.31
15 LPPKNGRWY 0.32
16 LKPKNGRWR 0.32
17 MDFKNGRWR 0.33
18 LDPKNGRWR 0.34
19 MKKKNGRWR 0.38
20 MPPKPGRWY 0.38
21 MPKKNGRWY 0.38
22 MKPKPGRWR 0.38
23 LPFKNGRWR 0.38
24 MPPKIGRWR 0.39
25 MDPKPGRWR 0.4
26 MDKKNGRWR 0.4
27 RPPKNGRWY 0.41
28 RKPKNGRWR 0.41
29 RDPKNGRWR 0.43
30 MKPKNGRWF 0.43
31 MKFKNGRWY 0.43
32 LKPKNGRWY 0.44
33 LPKKNGRWR 0.45
34 MPFKPGRWR 0.45
35 MDPKNGRWF 0.45
36 MDFKNGRWY 0.45
37 LDPKNGRWY 0.46
38 LPPKPGRWR 0.46
39 RPFKNGRWR 0.47
40 MPPRNGRWR 0.49
41 MKKKNGRWY 0.5
42 LKFKNGRWR 0.5
43 MPFKNGRWF 0.5
44 MKPKPGRWY 0.5
45 LPFKNGRWY 0.5
46 MKPKIGRWR 0.51
47 MPPKIGRWY 0.51
48 LPPKNGRWF 0.51
49 MDPKPGRWY 0.52
50 MPKKPGRWR 0.52
51 MDKKNGRWY 0.52
52 MDPKIGRWR 0.53
53 RKPKNGRWY 0.53
54 LDFKNGRWR 0.53
55 RPKKNGRWR 0.54
56 RDPKNGRWY 0.55
57 RPPKPGRWR 0.55
58 LKKKNGRWR 0.57
59 MKFKPGRWR 0.57
60 MPPKPGRWF 0.57
61 LPKKNGRWY 0.57
62 MPKKNGRWF 0.57
63 MPFKIGRWR 0.57
64 MPFKPGRWY 0.57
65 LPPKIGRWR 0.58
66 LPPKPGRWY 0.58
67 LKPKPGRWR 0.58
68 MDFKPGRWR 0.59
69 RKFKNGRWR 0.59
70 LDKKNGRWR 0.59
71 RPPKNGRWF 0.6
72 LDPKPGRWR 0.6
73 RPFKNGRWY 0.6
74 MPPRNGRWY 0.61
75 MKPRNGRWR 0.61
76 LKFKNGRWY 0.62
77 RDFKNGRWR 0.62
78 MKFKNGRWF 0.62
79 MKPKIGRWY 0.63
80 LKPKNGRWF 0.63
81 MDPRNGRWR 0.64
82 MPKKIGRWR 0.64
83 LPFKPGRWR 0.64
84 MPKKPGRWY 0.64
85 MKKKPGRWR 0.64
86 MDFKNGRWF 0.64
87 LDFKNGRWY 0.65
88 MDPKIGRWY 0.65
89 LDPKNGRWF 0.65
90 MDKKPGRWR 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 LPPKNGRWR

5.87

-12.07

-6.2
2 MPPKPGRWY

6.72

-12.92

-6.2
3 MPPKNGRWR

5.79

-11.75

-5.96
4 MPKKNGRWR

6.47

-12.15

-5.68
5 LPFKNGRWR

6.41

-12.08

-5.67
6 MPPKNGRWY

6.44

-12.08

-5.64
7 MPFKNGRWY

6.3

-11.89

-5.59
8 MPFKNGRWR

6.63

-12.12

-5.49
9 MPPKPGRWR

6.65

-12.08

-5.43
10 RKPKNGRWR

5.72

-11.1

-5.38
11 RPPKNGRWY

6.97

-12.22

-5.25
12 MPKKNGRWY

6.6

-11.83

-5.23
13 LKPKNGRWR

5.78

-10.92

-5.14
14 LPPKNGRWY

6.49

-11.51

-5.02
15 MPPKNGRWF

6.46

-11.31

-4.85
16 MKPKNGRWY

6.36

-11.09

-4.73
17 RPPKNGRWR

7.05

-11.77

-4.72
18 MKKKNGRWR

6.65

-11.23

-4.58
19 MDPKPGRWR

6.61

-11.11

-4.5
20 MKPKPGRWR

6.69

-11.02

-4.33
21 MKPKNGRWF

6.3

-10.54

-4.24
22 MDPKNGRWY

6.34

-10.35

-4.01
23 MKFKNGRWR

6.34

-10.24

-3.9
24 LDPKNGRWR

5.75

-9.48

-3.73
25 MDPKNGRWR

6.36

-9.78

-3.42
26 RDPKNGRWR

6.3

-9.65

-3.35
27 MDFKNGRWR

6.0

-9.35

-3.35
28 MKPKNGRWR

8.12

-11.44

-3.32
29 MPPKIGRWR

9.01

-12.2

-3.19
30 MDKKNGRWR

6.8

-9.89

-3.09

 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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