Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-25.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
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 4.684 ΔGbinding -0.305
TOTAL
 4.379
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.982
Van der Waals -3.854 Backbone clash 0.000
Electrostatics 0.444 Helix dipole 0.000
Solvation Polar 3.424 Water bridges 0.000
Solvation Hyd -5.893 Disulfide 0.000
VdW clashes 0.382 Electrost. Kon 0.597
Entropy sc 0.218 Part.cov.bonds 0.000
Entropy mc

3.395

 ΔGstability

82.468
       

Predicted ligand sequences for model [BBC1_1FYN-25.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-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERPPIRRAR 0.0
2 DRPPIRRAR 0.01
3 EFPPIRRAR 0.01
4 ERPPIRRPR 0.02
5 DFPPIRRAR 0.02
6 ERPPIRRAF 0.03
7 DRPPIRRPR 0.03
8 EFPPIRRPR 0.03
9 DFPPIRRPR 0.04
10 DRPPIRRAF 0.04
11 EFPPIRRAF 0.04
12 DFPPIRRAF 0.05
13 ERPPIRRPF 0.06
14 DRPPIRRPF 0.07
15 EFPPIRRPF 0.07
16 DFPPIRRPF 0.08
17 KRPPIRRAR 0.11
18 KFPPIRRAR 0.12
19 KFPPIRRPR 0.14
20 KRPPIRRPR 0.14
21 KRPPIRRAF 0.15
22 KFPPIRRAF 0.16
23 KRPPIRRPF 0.17
24 ERRPIRRAR 0.17
25 EFRPIRRAR 0.18
26 DRRPIRRAR 0.18
27 KFPPIRRPF 0.18
28 DFRPIRRAR 0.19
29 ERRPIRRPR 0.19
30 ERKPIRRAR 0.2
31 EFRPIRRPR 0.2
32 EFRPIRRAF 0.21
33 DFRPIRRPR 0.21
34 ERRPIRRAF 0.21
35 EFKPIRRAR 0.21
36 DRRPIRRPR 0.21
37 DRKPIRRAR 0.22
38 DRRPIRRAF 0.22
39 DFKPIRRAR 0.22
40 DFRPIRRAF 0.23
41 ERKPIRRPR 0.23
42 ERRPIRRPF 0.23
43 EFKPIRRPR 0.24
44 ERKPIRRAF 0.24
45 DRKPIRRPR 0.24
46 EFRPIRRPF 0.24
47 DRRPIRRPF 0.24
48 DFKPIRRPR 0.25
49 DFRPIRRPF 0.25
50 DRKPIRRAF 0.25
51 EFKPIRRAF 0.25
52 ERKPIRRPF 0.26
53 DFKPIRRAF 0.26
54 EFKPIRRPF 0.27
55 DRKPIRRPF 0.27
56 KRRPIRRAR 0.28
57 DFKPIRRPF 0.28
58 KFRPIRRAR 0.29
59 KRRPIRRPR 0.31
60 KFRPIRRPR 0.32
61 KRKPIRRAR 0.32
62 KRRPIRRAF 0.32
63 KFKPIRRAR 0.33
64 KFRPIRRAF 0.33
65 KRRPIRRPF 0.34
66 KRKPIRRPR 0.34
67 KFRPIRRPF 0.35
68 KFKPIRRPR 0.35
69 KRKPIRRAF 0.35
70 KFKPIRRAF 0.36
71 KRKPIRRPF 0.38
72 ERPPIRRAY 0.38
73 KFKPIRRPF 0.38
74 DRPPIRRAY 0.39
75 EFPPIRRAY 0.39
76 ERPPIRRPY 0.4
77 DFPPIRRAY 0.4
78 DRPPIRRPY 0.41
79 EFPPIRRPY 0.41
80 ERPKIRRAR 0.42
81 DFPPIRRPY 0.42
82 DRPKIRRAR 0.43
83 EFPKIRRAR 0.43
84 DFPKIRRAR 0.44
85 ERPKIRRPR 0.45
86 DRPKIRRPR 0.46
87 EFPKIRRPR 0.46
88 ERPKIRRAF 0.46
89 ERPFIRRAR 0.46
90 DRPKIRRAF 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRPPIRRPR

5.29

-8.34

-3.05
2 ERPPIRRPF

5.55

-7.9

-2.35
3 KRPPIRRPR

6.09

-8.09

-2.0
4 ERPPIRRPR

6.02

-8.02

-2.0
5 DFPPIRRAF

5.71

-7.55

-1.84
6 DRPPIRRAR

6.16

-7.93

-1.77
7 EFPPIRRPF

6.75

-8.46

-1.71
8 ERPPIRRAR

7.41

-8.98

-1.57
9 DRRPIRRAR

6.13

-7.68

-1.55
10 KRPPIRRPF

5.71

-7.11

-1.4
11 EFRPIRRAR

5.63

-6.93

-1.3
12 DRPPIRRPF

5.32

-6.49

-1.17
13 KRPPIRRAF

5.44

-6.59

-1.15
14 ERRPIRRAR

6.42

-7.55

-1.13
15 ERKPIRRAR

5.48

-6.58

-1.1
16 KRPPIRRAR

5.78

-6.83

-1.05
17 EFPPIRRAR

6.93

-7.89

-0.96
18 KFPPIRRPR

6.6

-7.51

-0.91
19 DRPPIRRAF

6.45

-7.3

-0.85
20 ERPPIRRAF

7.73

-8.49

-0.76
21 ERRPIRRPR

6.09

-6.73

-0.64
22 EFPPIRRAF

6.58

-7.08

-0.5
23 DFPPIRRAR

6.59

-7.08

-0.49
24 KFPPIRRPF

6.35

-6.67

-0.32
25 EFPPIRRPR

6.48

-6.77

-0.29
26 KFPPIRRAF

6.57

-6.74

-0.17
27 DFPPIRRPF

7.25

-7.11

0.14
28 DFPPIRRPR

6.36

-6.12

0.24
29 KFPPIRRAR

6.37

-5.94

0.43
30 DFRPIRRAR

6.51

-4.76

1.75

 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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