Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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    

(Help)

Intraclash 1.488 ΔGbinding -2.305
TOTAL
 -0.817
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.285
Van der Waals -2.269 Backbone clash 0.000
Electrostatics -0.065 Helix dipole 0.000
Solvation Polar 2.422 Water bridges -0.019
Solvation Hyd -3.170 Disulfide 0.000
VdW clashes 0.309 Electrost. Kon -0.067
Entropy sc 0.698 Part.cov.bonds 0.000
Entropy mc

2.121

 ΔGstability

63.398
       

Predicted ligand sequences for model [SLA1-D2_1OV33-23.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-D2_1OV33-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPLMPWY 0.0
2 MPLMRWY 0.01
3 MPLRPWY 0.07
4 MPLRRWY 0.08
5 MRLMPWY 0.15
6 MRLMRWY 0.16
7 MRLRPWY 0.21
8 MKLMPWY 0.22
9 MRLRRWY 0.23
10 MKLMRWY 0.24
11 MPLMKWY 0.29
12 MKLRPWY 0.29
13 RPLMPWY 0.3
14 MKLRRWY 0.3
15 RPLMRWY 0.32
16 MPLRKWY 0.35
17 RPLRPWY 0.37
18 RPLRRWY 0.38
19 MHLMPWY 0.38
20 MPLMMWY 0.39
21 MHLMRWY 0.4
22 MPLMLWY 0.43
23 MRLMKWY 0.43
24 MPLRMWY 0.45
25 MHLRPWY 0.45
26 RRLMPWY 0.45
27 MHLRRWY 0.46
28 RRLMRWY 0.47
29 MLLMPWY 0.49
30 MPLRLWY 0.49
31 MRLRKWY 0.5
32 MKLMKWY 0.51
33 MLLMRWY 0.51
34 RRLRPWY 0.52
35 RKLMPWY 0.53
36 RRLRRWY 0.53
37 RKLMRWY 0.54
38 MRLMMWY 0.54
39 MLLRPWY 0.56
40 MRLMLWY 0.57
41 MKLRKWY 0.57
42 MLLRRWY 0.58
43 RKLRPWY 0.59
44 RPLMKWY 0.59
45 MRLRMWY 0.6
46 RKLRRWY 0.61
47 MKLMMWY 0.61
48 MRLRLWY 0.64
49 MKLMLWY 0.65
50 RPLRKWY 0.66
51 MHLMKWY 0.67
52 MKLRMWY 0.68
53 RHLMPWY 0.68
54 RPLMMWY 0.69
55 RHLMRWY 0.7
56 MKLRLWY 0.72
57 RPLMLWY 0.73
58 MHLRKWY 0.73
59 RRLMKWY 0.74
60 RHLRPWY 0.75
61 RPLRMWY 0.76
62 RHLRRWY 0.77
63 MHLMMWY 0.77
64 MLLMKWY 0.78
65 RPLRLWY 0.79
66 RRLRKWY 0.8
67 RLLMPWY 0.8
68 MHLMLWY 0.81
69 RLLMRWY 0.81
70 RKLMKWY 0.81
71 MHLRMWY 0.83
72 RRLMMWY 0.84
73 MLLRKWY 0.85
74 RLLRPWY 0.86
75 MHLRLWY 0.87
76 RRLMLWY 0.88
77 RLLRRWY 0.88
78 MLLMMWY 0.88
79 RKLRKWY 0.88
80 RRLRMWY 0.9
81 RKLMMWY 0.91
82 MLLMLWY 0.92
83 RRLRLWY 0.94
84 RKLMLWY 0.95
85 MLLRMWY 0.95
86 RHLMKWY 0.97
87 RKLRMWY 0.98
88 MLLRLWY 0.99
89 RKLRLWY 1.02
90 RHLRKWY 1.04
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPLMRWY

3.46

-8.73

-5.27
2 MRLMRWY

4.12

-9.0

-4.88
3 RRLMRWY

3.91

-8.76

-4.85
4 MPLMRWY

3.77

-8.3

-4.53
5 MKLMPWY

4.03

-8.42

-4.39
6 MKLMRWY

3.74

-7.97

-4.23
7 RRLMPWY

3.06

-7.26

-4.2
8 MHLMPWY

4.23

-8.38

-4.15
9 MRLMPWY

3.89

-7.91

-4.02
10 MPLRLWY

3.6

-7.61

-4.01
11 MHLMRWY

3.83

-7.81

-3.98
12 MRLRRWY

3.86

-7.69

-3.83
13 MPLMLWY

3.85

-7.58

-3.73
14 RPLRPWY

3.45

-7.15

-3.7
15 MRLMKWY

4.11

-7.81

-3.7
16 MLLMPWY

3.87

-7.56

-3.69
17 MPLRKWY

3.95

-7.45

-3.5
18 MHLRRWY

4.12

-7.46

-3.34
19 MPLRRWY

3.82

-7.13

-3.31
20 MPLRPWY

4.31

-7.56

-3.25
21 MHLRPWY

3.53

-6.76

-3.23
22 MPLMMWY

4.05

-7.27

-3.22
23 MPLMKWY

3.52

-6.73

-3.21
24 MRLRPWY

3.69

-6.75

-3.06
25 RPLMPWY

4.45

-7.47

-3.02
26 MKLRRWY

4.11

-7.11

-3.0
27 MPLRMWY

3.81

-6.55

-2.74
28 MPLMPWY

3.87

-6.39

-2.52
29 RPLRRWY

4.41

-6.87

-2.46
30 MKLRPWY

4.68

-5.75

-1.07

 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