Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-19.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    

(Help)

Intraclash 9.347 ΔGbinding 6.795
TOTAL
 16.142
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.484
Van der Waals -5.796 Backbone clash 0.173
Electrostatics 0.851 Helix dipole 0.000
Solvation Polar 7.407 Water bridges -0.199
Solvation Hyd -7.777 Disulfide 0.000
VdW clashes 6.603 Electrost. Kon 0.655
Entropy sc 0.668 Part.cov.bonds 0.000
Entropy mc

5.173

 ΔGstability

116.450
       

Predicted ligand sequences for model [SLA1-D1_2A28-19.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).
 
  SLA1-D1_2A28-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRIHFGRHY 0.0
2 FRTHFGRHY 0.04
3 FRVHFGRHY 0.06
4 FRIHFGRRY 0.17
5 FRIHFGRHK 0.21
6 FRTHFGRRY 0.21
7 FRIPFGRHY 0.22
8 FRVHFGRRY 0.24
9 FRTHFGRHK 0.25
10 FRTPFGRHY 0.26
11 FRVHFGRHK 0.27
12 FRVPFGRHY 0.29
13 RRIHFGRHY 0.3
14 RRTHFGRHY 0.34
15 RRVHFGRHY 0.36
16 FRIHFGRRK 0.38
17 FRIPFGRRY 0.4
18 FRTHFGRRK 0.42
19 FRIPFGRHK 0.43
20 FMIHFGRHY 0.44
21 FRVHFGRRK 0.44
22 FRTPFGRRY 0.44
23 FPIHFGRHY 0.45
24 FRVPFGRRY 0.46
25 FRTPFGRHK 0.47
26 RRIHFGRRY 0.48
27 FMTHFGRHY 0.48
28 FRVPFGRHK 0.49
29 FPTHFGRHY 0.49
30 FMVHFGRHY 0.51
31 RRIHFGRHK 0.51
32 RRTHFGRRY 0.52
33 FPVHFGRHY 0.52
34 RRIPFGRHY 0.52
35 RRVHFGRRY 0.54
36 RRTHFGRHK 0.55
37 RRTPFGRHY 0.56
38 RRVHFGRHK 0.57
39 RRVPFGRHY 0.59
40 FRIPFGRRK 0.6
41 FMIHFGRRY 0.62
42 FPIHFGRRY 0.63
43 FRTPFGRRK 0.64
44 FMIHFGRHK 0.65
45 FPIHFGRHK 0.66
46 FMTHFGRRY 0.66
47 FRVPFGRRK 0.67
48 FPTHFGRRY 0.67
49 FPIPFGRHY 0.67
50 FMIPFGRHY 0.67
51 RRIHFGRRK 0.68
52 FMVHFGRRY 0.68
53 FMTHFGRHK 0.69
54 FPVHFGRRY 0.69
55 RRIPFGRRY 0.7
56 FMTPFGRHY 0.7
57 FPTHFGRHK 0.7
58 FMVHFGRHK 0.71
59 FPTPFGRHY 0.71
60 RRTHFGRRK 0.72
61 FPVHFGRHK 0.72
62 RRIPFGRHK 0.73
63 FMVPFGRHY 0.73
64 FPVPFGRHY 0.74
65 RMIHFGRHY 0.74
66 RRTPFGRRY 0.74
67 RPIHFGRHY 0.75
68 RRVHFGRRK 0.75
69 RRVPFGRRY 0.76
70 RRTPFGRHK 0.77
71 RPTHFGRHY 0.79
72 RRVPFGRHK 0.79
73 RMTHFGRHY 0.79
74 RMVHFGRHY 0.81
75 RPVHFGRHY 0.82
76 FMIHFGRRK 0.82
77 FPIHFGRRK 0.83
78 FMIPFGRRY 0.84
79 FPIPFGRRY 0.85
80 FMTHFGRRK 0.86
81 FPTHFGRRK 0.87
82 FMIPFGRHK 0.87
83 FMTPFGRRY 0.88
84 FPIPFGRHK 0.88
85 FPTPFGRRY 0.89
86 FMVHFGRRK 0.89
87 FMVPFGRRY 0.9
88 FPVHFGRRK 0.9
89 FMTPFGRHK 0.91
90 RRIPFGRRK 0.91
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRTHFGRHY

6.93

-5.81

1.12
2 FRVHFGRHY

7.9

-6.47

1.43
3 RRVHFGRHY

8.38

-6.62

1.76
4 FRTPFGRHK

8.13

-5.51

2.62
5 FRVPFGRHY

8.11

-5.4

2.71
6 FRTHFGRRY

7.64

-4.83

2.81
7 FRIHFGRHK

7.99

-5.1

2.89
8 FRVPFGRHK

7.8

-4.41

3.39
9 FMVHFGRHY

7.64

-3.92

3.72
10 FRTHFGRHK

8.55

-4.82

3.73
11 FRIHFGRRK

7.72

-3.92

3.8
12 FRIPFGRHK

8.85

-5.05

3.8
13 FPIHFGRHY

7.85

-4.01

3.84
14 FRIHFGRRY

8.58

-4.69

3.89
15 FRIPFGRHY

8.28

-4.38

3.9
16 FRVPFGRRY

8.31

-4.36

3.95
17 FRTPFGRHY

8.71

-4.69

4.02
18 FRIPFGRRY

8.19

-4.08

4.11
19 FRIHFGRHY

7.79

-3.67

4.12
20 FMTHFGRHY

9.07

-4.91

4.16
21 FRTHFGRRK

8.24

-4.0

4.24
22 FRVHFGRHK

8.79

-4.51

4.28
23 FRVHFGRRK

9.2

-4.73

4.47
24 RRIHFGRHY

9.29

-4.66

4.63
25 FMIHFGRHY

9.34

-4.37

4.97
26 FRTPFGRRY

9.45

-4.37

5.08
27 FPTHFGRHY

9.13

-3.94

5.19
28 FRVHFGRRY

9.89

-4.32

5.57
29 RRTHFGRHY

9.62

-4.02

5.6
30 RRIHFGRRY

10.08

-4.26

5.82

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER