Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-27.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 8.603 ΔGbinding -1.897
TOTAL
 6.706
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.209
Van der Waals -4.357 Backbone clash 0.055
Electrostatics -0.293 Helix dipole 0.000
Solvation Polar 5.220 Water bridges -0.075
Solvation Hyd -5.669 Disulfide 0.000
VdW clashes 4.158 Electrost. Kon -0.356
Entropy sc 1.201 Part.cov.bonds 0.000
Entropy mc

1.890

 ΔGstability

94.031
       

Predicted ligand sequences for model [SLA1-D2_1JO8-27.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_1JO8-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRKARPRRR 0.0
2 RRKARPRRR 0.0
3 RRKARMRRR 0.03
4 WRKARMRRR 0.03
5 RRKARKRRR 0.04
6 WRKARKRRR 0.04
7 RRRARPRRR 0.09
8 WRRARPRRR 0.09
9 RRKARPRHR 0.1
10 WRKARPRHR 0.1
11 WRRARMRRR 0.12
12 RRRARMRRR 0.12
13 RRRARKRRR 0.12
14 WRKARMRHR 0.13
15 WRKARPRPR 0.13
16 WRRARKRRR 0.13
17 RRKARMRHR 0.13
18 RRKARPRPR 0.13
19 RRKARKRHR 0.14
20 WRKARKRHR 0.14
21 RRKARMRPR 0.16
22 WRKARMRPR 0.16
23 RRKARPRRH 0.16
24 WRKARPRRH 0.17
25 WRKARKRPR 0.17
26 RRKARKRPR 0.17
27 WRKARPRRP 0.18
28 RRRARPRHR 0.18
29 RRKARPRRP 0.18
30 WRRARPRHR 0.19
31 RRKARMRRH 0.19
32 RRKARKRRH 0.2
33 WRKARMRRH 0.2
34 WRKARKRRH 0.2
35 RRRARMRHR 0.21
36 RRKARMRRP 0.21
37 WRKARMRRP 0.21
38 RRKARKRRP 0.22
39 WRKARKRRP 0.22
40 RRRARKRHR 0.22
41 WRRARMRHR 0.22
42 WRRARPRPR 0.22
43 RRRARPRPR 0.22
44 WRRARKRHR 0.23
45 RRRARMRPR 0.25
46 RRRARPRRH 0.25
47 WRRARPRRH 0.25
48 WRRARMRPR 0.25
49 RRRARKRPR 0.26
50 WRRARKRPR 0.26
51 RRKARPRHH 0.26
52 WRKARPRHH 0.26
53 RRRARPRRP 0.27
54 WRRARPRRP 0.27
55 RFKARPRRR 0.28
56 WRRARMRRH 0.28
57 RRKARPRHP 0.28
58 WRKARPRHP 0.28
59 WFKARPRRR 0.28
60 RRRARMRRH 0.28
61 WRKARMRHH 0.29
62 RRRARKRRH 0.29
63 WRRARKRRH 0.29
64 RRKARMRHH 0.29
65 WRKARKRHH 0.3
66 RRKARKRHH 0.3
67 RRRARMRRP 0.3
68 RRRARKRRP 0.3
69 WRKARPRPH 0.3
70 WRRARMRRP 0.3
71 RRKARPRPH 0.3
72 WRKARMRHP 0.31
73 WFKARMRRR 0.31
74 WRKARPRPP 0.31
75 RFKARMRRR 0.31
76 WRRARKRRP 0.31
77 RRKARMRHP 0.31
78 RRKARPRPP 0.31
79 WFKARKRRR 0.32
80 RFKARKRRR 0.32
81 RRKARKRHP 0.32
82 WRKARKRHP 0.32
83 RRKARMRPH 0.33
84 RRKARKRPH 0.33
85 WRKARMRPH 0.33
86 RRKARMRPP 0.34
87 WRKARMRPP 0.34
88 WRKARKRPH 0.34
89 WRRARPRHH 0.35
90 RRRARPRHH 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WRKARPRRP

6.75

-10.46

-3.71
2 RRRARPRRR

6.73

-9.29

-2.56
3 RRRARKRRR

7.18

-9.73

-2.55
4 WRRARPRRR

6.71

-9.17

-2.46
5 WRKARPRRR

7.01

-9.46

-2.45
6 RRKARMRRR

7.83

-10.06

-2.23
7 RRKARKRRR

9.11

-10.69

-1.58
8 RRKARPRPR

7.28

-8.82

-1.54
9 RRRARMRRR

8.14

-9.68

-1.54
10 WRKARPRPR

7.11

-8.6

-1.49
11 WRRARKRRR

7.08

-8.54

-1.46
12 WRKARPRRH

8.01

-9.43

-1.42
13 WRKARMRRR

7.86

-9.22

-1.36
14 RRKARMRPR

7.06

-8.32

-1.26
15 WRKARMRPR

6.85

-8.04

-1.19
16 RRRARPRHR

7.1

-8.18

-1.08
17 WRKARKRRR

8.14

-8.86

-0.72
18 RRKARPRRH

8.19

-8.89

-0.7
19 WRKARKRPR

7.18

-7.79

-0.61
20 RRKARMRHR

7.61

-8.2

-0.59
21 WRRARMRRR

6.9

-7.39

-0.49
22 RRKARPRRP

8.62

-8.96

-0.34
23 WRKARMRHR

7.08

-7.37

-0.29
24 RRKARKRPR

7.66

-7.9

-0.24
25 RRKARPRHR

7.08

-6.99

0.09
26 WRRARPRHR

7.07

-6.95

0.12
27 WRKARKRHR

7.55

-7.12

0.43
28 RRKARKRHR

7.04

-6.51

0.53
29 RRKARPRRR

8.3

-7.64

0.66
30 WRKARPRHR

7.55

-5.34

2.21

 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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