Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-19.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 0.857 ΔGbinding 2.527
TOTAL
 3.384
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.167
Van der Waals -5.358 Backbone clash 0.156
Electrostatics 0.283 Helix dipole 0.000
Solvation Polar 5.534 Water bridges -0.006
Solvation Hyd -7.626 Disulfide 0.000
VdW clashes 4.137 Electrost. Kon 0.328
Entropy sc 0.706 Part.cov.bonds 0.000
Entropy mc

4.363

 ΔGstability

18.171
       

Predicted ligand sequences for model [YSC84_2A08-19.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).
 
  YSC84_2A08-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMKMHGKRR 0.0
2 FMKKHGKRR 0.02
3 FDKMHGKRR 0.07
4 FDKKHGKRR 0.09
5 FMRMHGKRR 0.14
6 FMKMHGFRR 0.15
7 FMRKHGKRR 0.16
8 FMKKHGFRR 0.17
9 FMKRHGKRR 0.18
10 FDRMHGKRR 0.21
11 FDKMHGFRR 0.22
12 FVKMHGKRR 0.23
13 FMYMHGKRR 0.23
14 FDRKHGKRR 0.23
15 FDKKHGFRR 0.24
16 FMYKHGKRR 0.25
17 FMKMHGMRR 0.25
18 FDKRHGKRR 0.25
19 FVKKHGKRR 0.25
20 FMKKHGMRR 0.26
21 FMRMHGFRR 0.29
22 FDYMHGKRR 0.3
23 FMRKHGFRR 0.31
24 FMRRHGKRR 0.32
25 FDYKHGKRR 0.32
26 FDKMHGMRR 0.32
27 FMKRHGFRR 0.33
28 FDKKHGMRR 0.34
29 FDRMHGFRR 0.36
30 FVRMHGKRR 0.37
31 FVKMHGFRR 0.38
32 FDRKHGFRR 0.38
33 FMYMHGFRR 0.38
34 FMRMHGMRR 0.39
35 FVRKHGKRR 0.39
36 FDRRHGKRR 0.39
37 FVKKHGFRR 0.4
38 FMRKHGMRR 0.4
39 FMYKHGFRR 0.4
40 FDKRHGFRR 0.4
41 FMYRHGKRR 0.41
42 FVKRHGKRR 0.41
43 FMKMHRKRR 0.41
44 FMKRHGMRR 0.42
45 FMKKHRKRR 0.43
46 FDYMHGFRR 0.45
47 FDRMHGMRR 0.46
48 FVYMHGKRR 0.46
49 FVKMHGMRR 0.47
50 FDYKHGFRR 0.47
51 FMYMHGMRR 0.47
52 FMRRHGFRR 0.47
53 FVYKHGKRR 0.47
54 FDRKHGMRR 0.48
55 FDKMHRKRR 0.48
56 FDYRHGKRR 0.48
57 FMYKHGMRR 0.49
58 FVKKHGMRR 0.49
59 FDKKHRKRR 0.5
60 FDKRHGMRR 0.5
61 FVRMHGFRR 0.52
62 FVRKHGFRR 0.54
63 FDRRHGFRR 0.54
64 FVRRHGKRR 0.55
65 FDYMHGMRR 0.55
66 FMRMHRKRR 0.55
67 FMRRHGMRR 0.56
68 FMKMHRFRR 0.56
69 FDYKHGMRR 0.56
70 FMYRHGFRR 0.56
71 FVKRHGFRR 0.56
72 FMRKHRKRR 0.57
73 FMKKHRFRR 0.58
74 FMKRHRKRR 0.59
75 FVRMHGMRR 0.61
76 FVYMHGFRR 0.61
77 FVYKHGFRR 0.62
78 FDYRHGFRR 0.63
79 FDRMHRKRR 0.63
80 FVYRHGKRR 0.63
81 FVRKHGMRR 0.63
82 FVKMHRKRR 0.64
83 FDKMHRFRR 0.64
84 FDRKHRKRR 0.64
85 FDRRHGMRR 0.64
86 FMYMHRKRR 0.64
87 FMYRHGMRR 0.65
88 FVKRHGMRR 0.65
89 FDKKHRFRR 0.65
90 FDKRHRKRR 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FMKKHGKRR

2.96

-8.67

-5.71
2 FMRRHGKRR

3.01

-7.6

-4.59
3 FVKKHGKRR

2.55

-7.04

-4.49
4 FMRKHGKRR

3.7

-7.96

-4.26
5 FMKMHGFRR

2.84

-7.08

-4.24
6 FMKKHGMRR

2.99

-6.96

-3.97
7 FMYMHGKRR

3.16

-6.95

-3.79
8 FMKMHGKRR

2.48

-6.24

-3.76
9 FMKRHGFRR

2.83

-6.5

-3.67
10 FMRMHGKRR

2.76

-6.26

-3.5
11 FVRMHGKRR

2.94

-6.39

-3.45
12 FDKMHGMRR

2.68

-6.07

-3.39
13 FDKRHGKRR

2.72

-5.75

-3.03
14 FMKKHGFRR

3.36

-6.15

-2.79
15 FMKRHGKRR

3.48

-6.14

-2.66
16 FVKMHGKRR

3.0

-5.63

-2.63
17 FDKMHGKRR

2.83

-5.44

-2.61
18 FMRMHGFRR

3.22

-5.81

-2.59
19 FDYMHGKRR

3.15

-5.73

-2.58
20 FDKKHGKRR

3.38

-5.94

-2.56
21 FMYKHGKRR

3.16

-5.61

-2.45
22 FMKMHGMRR

2.58

-4.8

-2.22
23 FMRKHGFRR

3.62

-5.51

-1.89
24 FDKMHGFRR

3.0

-4.75

-1.75
25 FDYKHGKRR

3.45

-5.19

-1.74
26 FDRMHGKRR

2.95

-4.67

-1.72
27 FDKKHGFRR

3.96

-5.51

-1.55
28 FDKKHGMRR

3.2

-4.7

-1.5
29 FDRKHGKRR

2.94

-4.35

-1.41
30 FDRMHGFRR

3.01

-4.25

-1.24

 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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