Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-27.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
 G 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    

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Intraclash 3.698 ΔGbinding 0.201
TOTAL
 3.899
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.238 Torsional clash 0.140
Van der Waals -3.685 Backbone clash 0.108
Electrostatics -0.052 Helix dipole 0.000
Solvation Polar 4.641 Water bridges 0.106
Solvation Hyd -4.882 Disulfide 0.000
VdW clashes 3.546 Electrost. Kon -0.039
Entropy sc 0.363 Part.cov.bonds 0.000
Entropy mc

2.576

 ΔGstability

65.221
       

Predicted ligand sequences for model [SLA1-D2_1OV33-27.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_1OV33-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRRARPRFK 0.0
2 FRRARPRFR 0.0
3 FRPARPRFR 0.03
4 FRPARPRFK 0.03
5 FRRARRRFR 0.04
6 FRRARRRFK 0.05
7 FRPARRRFK 0.07
8 FRPARRRFR 0.07
9 FGRARPRFK 0.08
10 FGRARPRFR 0.08
11 FGPARPRFR 0.11
12 FGPARPRFK 0.11
13 FGRARRRFR 0.13
14 FGRARRRFK 0.13
15 FGPARRRFR 0.15
16 FGPARRRFK 0.16
17 FRRARMRFR 0.16
18 FRRARMRFK 0.17
19 FRPARMRFK 0.19
20 FKRARPRFR 0.19
21 FRRARLRFR 0.19
22 FRRARLRFK 0.19
23 FRPARMRFR 0.19
24 FNRARPRFK 0.19
25 FNRARPRFR 0.19
26 FKRARPRFK 0.2
27 FNPARPRFR 0.21
28 FRPARLRFR 0.21
29 FNPARPRFK 0.22
30 FKPARPRFK 0.22
31 FKPARPRFR 0.22
32 FRPARLRFK 0.22
33 FNRARRRFR 0.23
34 FKRARRRFK 0.24
35 FNRARRRFK 0.24
36 FKRARRRFR 0.24
37 FRRARPRFM 0.24
38 FGRARMRFR 0.24
39 FGRARMRFK 0.25
40 FNPARRRFK 0.26
41 FNPARRRFR 0.26
42 FKPARRRFR 0.26
43 FGPARMRFR 0.27
44 FRPARPRFM 0.27
45 FGPARMRFK 0.27
46 FKPARRRFK 0.27
47 FGRARLRFK 0.27
48 FGRARLRFR 0.27
49 FRRARPRFW 0.27
50 FRRARRRFM 0.28
51 FRPARPRFW 0.29
52 FGPARLRFR 0.29
53 FGPARLRFK 0.3
54 FRPARRRFM 0.31
55 FRRARRRFW 0.31
56 FRGARPRFR 0.32
57 FGRARPRFM 0.32
58 FRAARPRFR 0.32
59 FRGARPRFK 0.33
60 FRAARPRFK 0.33
61 FRPARRRFW 0.34
62 FGPARPRFM 0.35
63 FKRARMRFR 0.35
64 FGRARPRFW 0.35
65 FNRARMRFK 0.35
66 FNRARMRFR 0.35
67 FKRARMRFK 0.36
68 FRGARRRFR 0.37
69 FRGARRRFK 0.37
70 FRAARRRFK 0.37
71 FRAARRRFR 0.37
72 FNRARLRFR 0.37
73 FGPARPRFW 0.37
74 FGRARRRFM 0.37
75 FKPARMRFR 0.38
76 FKPARMRFK 0.38
77 FNRARLRFK 0.38
78 FNPARMRFR 0.38
79 FNPARMRFK 0.38
80 FKRARLRFK 0.38
81 FKRARLRFR 0.38
82 FGPARRRFM 0.39
83 FGRARRRFW 0.39
84 FRRARMRFM 0.4
85 FNPARLRFR 0.4
86 FNPARLRFK 0.4
87 FGGARPRFR 0.4
88 FGAARPRFK 0.41
89 FGAARPRFR 0.41
90 FKPARLRFK 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FNPARPRFR

5.32

-6.99

-1.67
2 FGRARRRFK

4.71

-6.0

-1.29
3 FGRARPRFR

4.8

-5.92

-1.12
4 FGRARPRFK

4.96

-6.07

-1.11
5 FRRARPRFR

5.39

-6.46

-1.07
6 FRRARRRFK

5.36

-6.22

-0.86
7 FNRARPRFK

5.04

-5.78

-0.74
8 FRPARPRFR

5.63

-6.34

-0.71
9 FGPARPRFK

4.61

-5.24

-0.63
10 FGPARRRFK

5.02

-5.63

-0.61
11 FNRARPRFR

5.07

-5.62

-0.55
12 FRPARRRFR

5.59

-6.13

-0.54
13 FRRARMRFK

5.4

-5.85

-0.45
14 FGPARRRFR

4.92

-5.36

-0.44
15 FKRARPRFK

5.32

-5.76

-0.44
16 FRPARRRFK

5.53

-5.97

-0.44
17 FGRARRRFR

5.12

-5.36

-0.24
18 FKRARPRFR

6.38

-6.53

-0.15
19 FRRARMRFR

6.93

-6.99

-0.06
20 FRRARRRFR

6.55

-6.55

0.0
21 FRRARPRFK

6.17

-6.14

0.03
22 FRRARLRFR

5.03

-4.75

0.28
23 FGPARPRFR

4.36

-4.01

0.35
24 FNPARPRFK

5.26

-4.54

0.72
25 FRPARLRFR

7.0

-6.09

0.91
26 FRPARPRFK

6.76

-5.83

0.93
27 FRPARMRFR

7.27

-6.19

1.08
28 FRRARLRFK

6.14

-4.92

1.22
29 FKPARPRFK

6.53

-4.6

1.93
30 FRPARMRFK

7.08

-4.78

2.3

 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.

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