Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-8.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 10.267 ΔGbinding -2.093
TOTAL
 8.174
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.198
Van der Waals -3.660 Backbone clash 0.035
Electrostatics 0.411 Helix dipole 0.000
Solvation Polar 3.335 Water bridges 0.000
Solvation Hyd -5.506 Disulfide 0.000
VdW clashes 0.275 Electrost. Kon 0.535
Entropy sc 0.652 Part.cov.bonds 0.000
Entropy mc

1.942

 ΔGstability

80.476
       

Predicted ligand sequences for model [BBC1_1FYN-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DMPPMVSR 0.0
2 DMPPMPSR 0.03
3 DMPPLVSR 0.06
4 DMPPLPSR 0.09
5 DMPWMVSR 0.18
6 FMPPMVSR 0.18
7 DMPPMVTR 0.2
8 DMPWMPSR 0.21
9 FMPPMPSR 0.21
10 HMPPMVSR 0.22
11 DMPPMPTR 0.23
12 FMPPLVSR 0.24
13 DMPFMVSR 0.24
14 HMPPMPSR 0.25
15 DMPWLVSR 0.25
16 DMPFMPSR 0.27
17 FMPPLPSR 0.27
18 DMPPLVTR 0.27
19 HMPPLVSR 0.28
20 DMPWLPSR 0.28
21 DMPFLVSR 0.3
22 DMPPLPTR 0.3
23 HMPPLPSR 0.31
24 DMPPMVKR 0.32
25 DMPFLPSR 0.33
26 DMPPMPKR 0.35
27 FMPWMVSR 0.36
28 FMPPMVTR 0.38
29 DMPPLVKR 0.39
30 FMPWMPSR 0.39
31 DMPWMVTR 0.39
32 HMPWMVSR 0.4
33 FMPPMPTR 0.41
34 FMPFMVSR 0.41
35 DMPPLPKR 0.41
36 DMPWMPTR 0.42
37 FMPWLVSR 0.42
38 HMPPMVTR 0.42
39 HMPWMPSR 0.43
40 FMPPLVTR 0.44
41 DMPFMVTR 0.44
42 FMPFMPSR 0.44
43 DMPWLVTR 0.45
44 DPPPMVSR 0.45
45 FMPWLPSR 0.45
46 HMPPMPTR 0.45
47 HMPFMVSR 0.46
48 HMPWLVSR 0.47
49 FMPPLPTR 0.47
50 DMPFMPTR 0.47
51 DPPPMPSR 0.48
52 DMPWLPTR 0.48
53 FMPFLVSR 0.48
54 HMPFMPSR 0.48
55 HMPPLVTR 0.49
56 DMPWMVKR 0.5
57 FMPPMVKR 0.5
58 HMPWLPSR 0.5
59 FMPFLPSR 0.51
60 DMPFLVTR 0.51
61 DPPPLVSR 0.51
62 HMPFLVSR 0.52
63 HMPPLPTR 0.52
64 DMPWMPKR 0.53
65 FMPPMPKR 0.53
66 DMPFLPTR 0.53
67 DPPPLPSR 0.54
68 HMPPMVKR 0.54
69 HMPFLPSR 0.55
70 FMPPLVKR 0.56
71 FMPWMVTR 0.56
72 DMPFMVKR 0.56
73 HMPPMPKR 0.57
74 DMPWLVKR 0.57
75 FMPWMPTR 0.59
76 DMPFMPKR 0.59
77 FMPPLPKR 0.59
78 HMPPLVKR 0.6
79 DMPWLPKR 0.6
80 HMPWMVTR 0.61
81 FMPFMVTR 0.62
82 DMPFLVKR 0.62
83 FMPWLVTR 0.63
84 DPPWMVSR 0.63
85 HMPPLPKR 0.63
86 FPPPMVSR 0.63
87 HMPWMPTR 0.64
88 FMPFMPTR 0.65
89 DPPPMVTR 0.65
90 DMPFLPKR 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DMPFLVSR

4.62

-10.49

-5.87
2 DMPPMPKR

4.63

-10.49

-5.86
3 DMPWLVSR

4.62

-10.31

-5.69
4 DMPPLVKR

4.58

-10.27

-5.69
5 DMPPLPTR

4.53

-10.2

-5.67
6 DMPPLPSR

4.48

-10.14

-5.66
7 DMPPMPSR

4.64

-10.28

-5.64
8 DMPPLVTR

4.57

-9.98

-5.41
9 FMPPLVSR

4.65

-9.81

-5.16
10 DMPWLPSR

4.81

-9.96

-5.15
11 DMPPLVSR

4.76

-9.91

-5.15
12 DMPFMPSR

4.71

-9.86

-5.15
13 HMPPLVSR

4.73

-9.82

-5.09
14 DMPFLPSR

4.79

-9.76

-4.97
15 DMPPMVSR

4.53

-9.46

-4.93
16 FMPPLPSR

4.66

-9.51

-4.85
17 HMPPLPSR

4.69

-9.49

-4.8
18 DMPWMVSR

5.03

-9.74

-4.71
19 DMPPMVTR

4.49

-9.04

-4.55
20 DMPFMVSR

4.56

-9.08

-4.52
21 FMPWMPSR

4.48

-8.89

-4.41
22 FMPWMVSR

4.91

-9.24

-4.33
23 DMPWMPSR

6.7

-10.36

-3.66
24 DMPPMVKR

6.52

-10.05

-3.53
25 FMPPMPSR

6.42

-9.92

-3.5
26 DMPPMPTR

6.82

-9.66

-2.84
27 FMPPMVSR

6.99

-9.18

-2.19
28 HMPPMVSR

7.53

-9.69

-2.16
29 HMPPMPSR

7.76

-9.49

-1.73
30 FMPPMVTR

6.79

-8.51

-1.72

 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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