Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-29.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 10
poly-Ala
A
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    

(Help)

Intraclash 4.127 ΔGbinding -3.134
TOTAL
 0.993
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.595
Van der Waals -4.019 Backbone clash 0.137
Electrostatics -0.263 Helix dipole 0.000
Solvation Polar 3.620 Water bridges -0.018
Solvation Hyd -5.992 Disulfide 0.000
VdW clashes 0.024 Electrost. Kon -0.393
Entropy sc 0.541 Part.cov.bonds 0.000
Entropy mc

2.770

 ΔGstability

33.965
       

Predicted ligand sequences for model [SLA1-D3_1CSK-29.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-D3_1CSK-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 KYRFFHYRYK 0.0
2 KYKFFHYRYK 0.03
3 HYRFFHYRYK 0.03
4 HYKFFHYRYK 0.05
5 RYRFFHYRYK 0.07
6 KYRFFHYRYR 0.08
7 RYKFFHYRYK 0.09
8 KYRFFPYRYK 0.1
9 KYKFFHYRYR 0.11
10 HYRFFHYRYR 0.11
11 HYRFFPYRYK 0.12
12 KYKFFPYRYK 0.12
13 KYRPFHYRYK 0.12
14 HYKFFHYRYR 0.13
15 KYRWFHYRYK 0.14
16 HYRPFHYRYK 0.15
17 RYRFFHYRYR 0.15
18 KYKPFHYRYK 0.15
19 HYKFFPYRYK 0.15
20 RYRFFPYRYK 0.16
21 KYKWFHYRYK 0.17
22 RYKFFHYRYR 0.17
23 HYRWFHYRYK 0.17
24 KYRFFHRRYK 0.17
25 HYKPFHYRYK 0.17
26 KYRFFHYHYK 0.17
27 KYRFFPYRYR 0.18
28 HYRFFHRRYK 0.19
29 RYRPFHYRYK 0.19
30 HYKWFHYRYK 0.19
31 KYKFFHRRYK 0.19
32 RYKFFPYRYK 0.19
33 HYRFFPYRYR 0.2
34 KYKFFPYRYR 0.2
35 KYKFFHYHYK 0.2
36 HYRFFHYHYK 0.2
37 RYRWFHYRYK 0.21
38 KYRPFHYRYR 0.21
39 HYKFFHYHYK 0.22
40 HYKFFHRRYK 0.22
41 KYRPFPYRYK 0.22
42 KYRWFHYRYR 0.22
43 RYKPFHYRYK 0.22
44 KYKPFHYRYR 0.23
45 RYKWFHYRYK 0.23
46 HYRPFHYRYR 0.23
47 HYKFFPYRYR 0.23
48 RYRFFHYHYK 0.24
49 RYRFFPYRYR 0.24
50 HYRPFPYRYK 0.24
51 KYRWFPYRYK 0.24
52 KYKPFPYRYK 0.24
53 RYRFFHRRYK 0.24
54 KYKWFHYRYR 0.25
55 HYRWFHYRYR 0.25
56 KYRFFHRRYR 0.25
57 KYRFFHYHYR 0.25
58 KYKWFPYRYK 0.26
59 RYKFFHYHYK 0.26
60 KYRFFPRRYK 0.26
61 RYKFFHRRYK 0.26
62 HYRWFPYRYK 0.26
63 HYKPFHYRYR 0.26
64 HYKPFPYRYK 0.27
65 HYRFFHRRYR 0.27
66 RYRPFHYRYR 0.27
67 HYKWFHYRYR 0.27
68 KWRFFHYRYK 0.27
69 KYKFFHRRYR 0.27
70 RYKFFPYRYR 0.27
71 KYRFFPYHYK 0.27
72 KYKFFHYHYR 0.28
73 HYRFFHYHYR 0.28
74 HYKWFPYRYK 0.29
75 KYKFFPRRYK 0.29
76 HYRFFPRRYK 0.29
77 HWRFFHYRYK 0.29
78 KWKFFHYRYK 0.29
79 KYRPFHRRYK 0.29
80 RYRWFHYRYR 0.29
81 KYKFFPYHYK 0.29
82 KYRFFHKRYK 0.29
83 HYRFFPYHYK 0.29
84 RYRPFPYRYK 0.29
85 HYKFFHYHYR 0.3
86 HYKFFHRRYR 0.3
87 RYRWFPYRYK 0.3
88 KYRFFHYRYH 0.3
89 KYRPFPYRYR 0.3
90 KYRPFHYHYK 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KYRFFPYRYK

2.12

-13.8

-11.68
2 HYRFFPYRYK

2.32

-13.16

-10.84
3 KYRFFPYRYR

2.85

-13.35

-10.5
4 KYKFFPYRYK

2.31

-12.2

-9.89
5 KYRFFHRRYK

2.61

-12.43

-9.82
6 KYRFFHYHYK

3.15

-12.95

-9.8
7 RYRFFPYRYK

2.45

-12.13

-9.68
8 KYRFFHYRYK

2.42

-11.98

-9.56
9 HYKFFPYRYK

2.5

-12.01

-9.51
10 KYKPFHYRYK

2.47

-11.98

-9.51
11 RYRFFHYRYR

2.31

-11.8

-9.49
12 HYRPFHYRYK

2.78

-12.09

-9.31
13 RYKFFHYRYK

2.6

-11.83

-9.23
14 HYRFFHYRYK

2.57

-11.67

-9.1
15 HYKWFHYRYK

2.66

-11.75

-9.09
16 HYRFFHYRYR

2.87

-11.88

-9.01
17 HYRWFHYRYK

2.67

-11.64

-8.97
18 KYKWFHYRYK

2.76

-11.71

-8.95
19 KYRFFHYRYR

2.83

-11.73

-8.9
20 HYRFFHRRYK

3.16

-11.98

-8.82
21 KYRPFHYRYK

3.21

-11.86

-8.65
22 HYKFFHYRYK

2.91

-11.54

-8.63
23 HYKFFHYRYR

2.52

-11.11

-8.59
24 RYRPFHYRYK

2.69

-11.22

-8.53
25 KYRWFHYRYK

2.31

-10.8

-8.49
26 KYKFFHYRYR

2.72

-11.17

-8.45
27 RYRFFHYRYK

3.06

-11.47

-8.41
28 RYKFFHYRYR

2.49

-10.76

-8.27
29 KYKFFHYRYK

2.86

-11.1

-8.24
30 HYKPFHYRYK

2.72

-10.26

-7.54

 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