Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-2.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 3.251 ΔGbinding 2.610
TOTAL
 5.861
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.196
Van der Waals -5.998 Backbone clash 0.396
Electrostatics 0.208 Helix dipole 0.000
Solvation Polar 7.106 Water bridges -0.157
Solvation Hyd -8.979 Disulfide 0.000
VdW clashes 6.659 Electrost. Kon 0.110
Entropy sc 1.114 Part.cov.bonds 0.000
Entropy mc

2.626

 ΔGstability

47.262
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-2.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_UJ0-CSK-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERKRRHRRMR 0.0
2 ERKRRPRRMR 0.0
3 ERKRRPRRPR 0.06
4 ERKRRHRRPR 0.06
5 ERRRRHRRMR 0.07
6 ERRRRPRRMR 0.07
7 ERRRRPRRPR 0.13
8 ERRRRHRRPR 0.13
9 ERKRRHRRRR 0.18
10 ERKRRPRRRR 0.18
11 EKKRRHRRMR 0.22
12 EKKRRPRRMR 0.22
13 ERRRRHRRRR 0.25
14 ERRRRPRRRR 0.25
15 EKKRRPRRPR 0.28
16 EKKRRHRRPR 0.28
17 EKRRRPRRMR 0.29
18 EKRRRHRRMR 0.29
19 EKRRRPRRPR 0.35
20 EKRRRHRRPR 0.35
21 EKKRRPRRRR 0.4
22 EKKRRHRRRR 0.4
23 ARKRRHRRMR 0.4
24 ARKRRPRRMR 0.4
25 ERMRRHRRMR 0.43
26 DRKRRHRRMR 0.43
27 ERMRRPRRMR 0.43
28 DRKRRPRRMR 0.43
29 ERKRRPRRMH 0.44
30 ERKRRHRRMH 0.44
31 ARKRRHRRPR 0.46
32 ARRRRHRRMR 0.46
33 ARRRRPRRMR 0.46
34 ARKRRPRRPR 0.46
35 ERKRRPRDMR 0.47
36 EKRRRPRRRR 0.47
37 EKRRRHRRRR 0.47
38 ERKRRHRDMR 0.47
39 DRKRRHRRPR 0.49
40 ERMRRPRRPR 0.49
41 DRRRRPRRMR 0.49
42 DRRRRHRRMR 0.49
43 ERKRRHRPMR 0.49
44 ERMRRHRRPR 0.49
45 DRKRRPRRPR 0.49
46 ERKRRPRPMR 0.49
47 ERKRRPRRPH 0.51
48 ERKRRHRRPH 0.51
49 ERRRRHRRMH 0.51
50 ERRRRPRRMH 0.51
51 ERKRRHRDPR 0.53
52 ERKRRPRDPR 0.53
53 ARRRRHRRPR 0.53
54 ARRRRPRRPR 0.53
55 ERRRRPRDMR 0.54
56 ERRRRHRDMR 0.54
57 ERRRRPRPMR 0.55
58 ERKRRPRPPR 0.55
59 ERRRRHRPMR 0.55
60 ERKRRHRPPR 0.55
61 DRRRRHRRPR 0.56
62 DRRRRPRRPR 0.56
63 ERRRRPRRPH 0.57
64 ERRRRHRRPH 0.57
65 ARKRRPRRRR 0.57
66 ARKRRHRRRR 0.57
67 ERRRRHRDPR 0.6
68 DRKRRPRRRR 0.6
69 DRKRRHRRRR 0.6
70 ERRRRPRDPR 0.6
71 ERMRRHRRRR 0.61
72 ERMRRPRRRR 0.61
73 ERRRRHRPPR 0.62
74 ERKRRHRRRH 0.62
75 AKKRRPRRMR 0.62
76 ERRRRPRPPR 0.62
77 AKKRRHRRMR 0.62
78 ERKRRPRRRH 0.62
79 ARRRRHRRRR 0.64
80 ARRRRPRRRR 0.64
81 EKMRRHRRMR 0.65
82 DKKRRHRRMR 0.65
83 ERKRRPRDRR 0.65
84 ERKRRHRDRR 0.65
85 EKMRRPRRMR 0.65
86 DKKRRPRRMR 0.65
87 EKKRRHRRMH 0.66
88 EKKRRPRRMH 0.66
89 DRRRRPRRRR 0.67
90 ERKRRPRPRR 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EKRRRHRRMR

3.21

-15.56

-12.35
2 EKRRRPRRPR

2.14

-14.04

-11.9
3 EKRRRHRRPR

3.08

-14.83

-11.75
4 EKKRRPRRPR

1.57

-12.91

-11.34
5 ARKRRHRRMR

3.48

-14.48

-11.0
6 ERRRRHRRPR

3.23

-14.09

-10.86
7 EKKRRPRRRR

2.42

-13.16

-10.74
8 ERRRRHRRMR

3.28

-13.78

-10.5
9 ERKRRHRRPR

3.08

-13.52

-10.44
10 ERKRRPRRMH

2.35

-12.56

-10.21
11 ERRRRPRRPR

2.14

-12.24

-10.1
12 ERMRRPRRMR

2.16

-12.16

-10.0
13 ERKRRPRRPR

2.54

-12.27

-9.73
14 ARKRRPRRMR

2.52

-12.0

-9.48
15 ERKRRPRRMR

2.46

-11.89

-9.43
16 ERKRRPRRRR

3.57

-12.91

-9.34
17 ERKRRHRRMR

2.39

-11.65

-9.26
18 ERKRRHRRRR

3.7

-12.94

-9.24
19 EKKRRHRRPR

2.51

-11.43

-8.92
20 DRKRRHRRMR

3.62

-12.52

-8.9
21 ERRRRHRRRR

3.54

-12.4

-8.86
22 DRKRRPRRMR

2.48

-11.22

-8.74
23 EKKRRPRRMR

3.57

-12.26

-8.69
24 ERKRRHRRMH

3.12

-11.77

-8.65
25 EKKRRHRRRR

2.39

-11.02

-8.63
26 EKKRRHRRMR

3.76

-12.33

-8.57
27 ERMRRHRRMR

3.77

-12.32

-8.55
28 EKRRRPRRMR

3.78

-12.28

-8.5
29 ERRRRPRRMR

2.63

-11.08

-8.45
30 ERRRRPRRRR

2.94

-10.73

-7.79

 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