Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-15.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
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 2.612 ΔGbinding 5.649
TOTAL
 8.261
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.533
Van der Waals -4.138 Backbone clash 0.219
Electrostatics 0.211 Helix dipole 0.000
Solvation Polar 6.552 Water bridges -0.009
Solvation Hyd -5.619 Disulfide 0.000
VdW clashes 4.330 Electrost. Kon 0.100
Entropy sc 0.616 Part.cov.bonds 0.000
Entropy mc

4.348

 ΔGstability

53.765
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFRIRKIM 0.0
2 RPFRIRKIR 0.04
3 RPFRIRKSM 0.05
4 RPWRIRKIM 0.06
5 RPYRIRKIM 0.08
6 RPFRIRKSR 0.09
7 RPFRIRIIM 0.1
8 RPWRIRKIR 0.1
9 RPFRIRLIM 0.11
10 RPWRIRKSM 0.11
11 RPYRIRKIR 0.12
12 RPYRIRKSM 0.13
13 RPFRIRIIR 0.14
14 RPFRIRLIR 0.14
15 RPWRIRKSR 0.15
16 RPWRIRIIM 0.16
17 RPFRIRLSM 0.16
18 RPWRIRLIM 0.16
19 RPFRIRISM 0.16
20 RPYRIRKSR 0.17
21 RPYRIRIIM 0.19
22 RPFRIRISR 0.19
23 RPYRIRLIM 0.19
24 RPWRIRIIR 0.2
25 RPWRIRLIR 0.2
26 RPFRIRLSR 0.2
27 RPWRIRISM 0.21
28 RPWRIRLSM 0.22
29 RPYRIRIIR 0.23
30 RPYRIRLIR 0.23
31 RPYRIRISM 0.24
32 RPYRIRLSM 0.24
33 RPWRIRLSR 0.25
34 RPWRIRISR 0.25
35 RPFRIRKTM 0.26
36 RPYRIRISR 0.28
37 RPYRIRLSR 0.28
38 RPFRIRKTR 0.3
39 RPWRIRKTM 0.32
40 RPYRIRKTM 0.34
41 RPFRKRKIM 0.35
42 RPWRIRKTR 0.36
43 RPFRVRKIM 0.36
44 RPFRIRITM 0.36
45 RPFRIRLTM 0.37
46 RPYRIRKTR 0.38
47 RPFRKRKIR 0.39
48 RPFRIRLTR 0.4
49 RPFRVRKIR 0.4
50 RPFRKRKSM 0.4
51 RPFRIRITR 0.4
52 RPWRKRKIM 0.41
53 RPFRVRKSM 0.41
54 RPWRVRKIM 0.42
55 RPWRIRITM 0.42
56 RPWRIRLTM 0.42
57 RPYRKRKIM 0.43
58 RPFRKRKSR 0.44
59 RPYRIRLTM 0.45
60 RPWRKRKIR 0.45
61 RPFRKRIIM 0.45
62 RPYRVRKIM 0.45
63 RPYRIRITM 0.45
64 RPFRVRKSR 0.45
65 RPFRKRLIM 0.45
66 RPWRVRKIR 0.46
67 RPWRKRKSM 0.46
68 RPWRIRLTR 0.46
69 RPWRIRITR 0.46
70 RPFRVRIIM 0.47
71 RPYRKRKIR 0.47
72 RPFRVRLIM 0.47
73 RPWRVRKSM 0.47
74 RPYRVRKIR 0.48
75 RPYRIRITR 0.48
76 RPYRKRKSM 0.48
77 RPYRIRLTR 0.49
78 RPFRKRIIR 0.49
79 RPFRKRLIR 0.49
80 RPWRKRKSR 0.5
81 RPYRVRKSM 0.5
82 RPFRVRIIR 0.51
83 RPWRKRLIM 0.51
84 RPFRKRLSM 0.51
85 RPFRVRLIR 0.51
86 RPFRKRISM 0.51
87 RPWRVRKSR 0.51
88 RPWRKRIIM 0.51
89 RPFRVRISM 0.52
90 RPFRVRLSM 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPYRIRLIR

2.15

-11.82

-9.67
2 RPYRIRKIR

2.34

-11.93

-9.59
3 RPWRIRKIR

2.25

-11.22

-8.97
4 RPWRIRKSR

1.62

-10.2

-8.58
5 RPYRIRKSR

3.13

-11.31

-8.18
6 RPWRIRKSM

1.27

-9.39

-8.12
7 RPFRIRLSR

1.68

-9.72

-8.04
8 RPWRIRISM

1.67

-9.33

-7.66
9 RPWRIRLSM

2.53

-10.01

-7.48
10 RPFRIRKSM

1.81

-9.09

-7.28
11 RPFRIRKSR

1.99

-8.98

-6.99
12 RPFRIRIIR

2.6

-9.38

-6.78
13 RPYRIRKIM

2.17

-8.76

-6.59
14 RPYRIRKSM

1.7

-8.27

-6.57
15 RPWRIRIIR

2.82

-9.33

-6.51
16 RPFRIRISR

2.0

-8.41

-6.41
17 RPYRIRIIM

1.79

-8.16

-6.37
18 RPWRIRLIR

2.2

-8.45

-6.25
19 RPWRIRKIM

2.66

-8.81

-6.15
20 RPFRIRLIR

2.32

-8.31

-5.99
21 RPFRIRIIM

2.53

-8.47

-5.94
22 RPFRIRLSM

1.58

-7.51

-5.93
23 RPFRIRLIM

2.5

-8.34

-5.84
24 RPFRIRKIM

2.39

-8.14

-5.75
25 RPWRIRIIM

2.02

-7.67

-5.65
26 RPYRIRIIR

2.46

-8.0

-5.54
27 RPFRIRISM

1.69

-7.0

-5.31
28 RPFRIRKIR

3.33

-8.54

-5.21
29 RPYRIRLIM

2.59

-7.3

-4.71
30 RPWRIRLIM

2.19

-6.52

-4.33

 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