Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-17.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
G
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 1.918 ΔGbinding -2.048
TOTAL
 -0.130
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.242
Van der Waals -5.217 Backbone clash 0.248
Electrostatics -0.492 Helix dipole 0.000
Solvation Polar 7.228 Water bridges -0.061
Solvation Hyd -7.434 Disulfide 0.000
VdW clashes 1.723 Electrost. Kon -0.487
Entropy sc 1.092 Part.cov.bonds 0.000
Entropy mc

4.408

 ΔGstability

44.668
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRWRMGRRM 0.0
2 YRFRMGRRM 0.02
3 YRKRMGRRM 0.06
4 YRYRMGRRM 0.07
5 RRWRMGRRM 0.16
6 YRWRMGRRC 0.18
7 RRFRMGRRM 0.18
8 YRIRMGRRM 0.21
9 YRFRMGRRC 0.21
10 RRYRMGRRM 0.23
11 RRKRMGRRM 0.23
12 FRWRMGRRM 0.24
13 YRKRMGRRC 0.25
14 YRYRMGRRC 0.25
15 FRFRMGRRM 0.27
16 YRWIMGRRM 0.3
17 FRKRMGRRM 0.31
18 FRYRMGRRM 0.31
19 YRFIMGRRM 0.33
20 RRWRMGRRC 0.35
21 YRYIMGRRM 0.37
22 YRKIMGRRM 0.37
23 RRIRMGRRM 0.37
24 RRFRMGRRC 0.37
25 YRIRMGRRC 0.39
26 RRYRMGRRC 0.41
27 RRKRMGRRC 0.41
28 YRWRMGRRA 0.42
29 FRWRMGRRC 0.43
30 YRFRMGRRA 0.45
31 FRIRMGRRM 0.45
32 FRFRMGRRC 0.45
33 RRWIMGRRM 0.47
34 YRKRMGRRA 0.49
35 YRYRMGRRA 0.49
36 FRKRMGRRC 0.49
37 YRWIMGRRC 0.49
38 RRFIMGRRM 0.49
39 FRYRMGRRC 0.49
40 YRIIMGRRM 0.51
41 YRFIMGRRC 0.51
42 RRKIMGRRM 0.53
43 RRYIMGRRM 0.53
44 YRYIMGRRC 0.55
45 YRKIMGRRC 0.55
46 FRWIMGRRM 0.55
47 RRIRMGRRC 0.56
48 FRFIMGRRM 0.57
49 RRWRMGRRA 0.59
50 FRYIMGRRM 0.61
51 RRFRMGRRA 0.61
52 FRKIMGRRM 0.61
53 YRIRMGRRA 0.63
54 FRIRMGRRC 0.64
55 RRYRMGRRA 0.65
56 RRKRMGRRA 0.65
57 RRWIMGRRC 0.65
58 FRWRMGRRA 0.67
59 RRFIMGRRC 0.68
60 RRIIMGRRM 0.68
61 FRFRMGRRA 0.69
62 YRIIMGRRC 0.7
63 RRKIMGRRC 0.72
64 RRYIMGRRC 0.72
65 FRKRMGRRA 0.73
66 YRWIMGRRA 0.73
67 FRYRMGRRA 0.73
68 FRWIMGRRC 0.74
69 YRFIMGRRA 0.75
70 FRFIMGRRC 0.76
71 FRIIMGRRM 0.76
72 YRYIMGRRA 0.79
73 YRKIMGRRA 0.79
74 FRYIMGRRC 0.8
75 RRIRMGRRA 0.8
76 FRKIMGRRC 0.8
77 RRIIMGRRC 0.86
78 FRIRMGRRA 0.88
79 RRWIMGRRA 0.89
80 RRFIMGRRA 0.92
81 FRIIMGRRC 0.94
82 YRIIMGRRA 0.94
83 RRKIMGRRA 0.96
84 RRYIMGRRA 0.96
85 FRWIMGRRA 0.98
86 FRFIMGRRA 1.0
87 FRYIMGRRA 1.04
88 FRKIMGRRA 1.04
89 RRIIMGRRA 1.1
90 FRIIMGRRA 1.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRYRMGRRC

2.1

-11.39

-9.29
2 YRYRMGRRM

1.88

-10.64

-8.76
3 YRWIMGRRM

2.01

-10.58

-8.57
4 FRWRMGRRM

1.92

-10.18

-8.26
5 FRKRMGRRM

1.64

-9.83

-8.19
6 RRYRMGRRM

1.96

-9.98

-8.02
7 YRKRMGRRM

1.9

-9.69

-7.79
8 RRWRMGRRM

2.07

-9.84

-7.77
9 RRFRMGRRM

1.88

-9.63

-7.75
10 YRIRMGRRM

2.1

-9.84

-7.74
11 YRYIMGRRM

1.58

-9.19

-7.61
12 YRKIMGRRM

1.72

-9.05

-7.33
13 YRWRMGRRM

2.68

-9.81

-7.13
14 YRKRMGRRC

1.74

-8.86

-7.12
15 FRYRMGRRM

2.02

-9.1

-7.08
16 YRWRMGRRC

1.96

-8.84

-6.88
17 YRFRMGRRM

1.93

-8.8

-6.87
18 YRYRMGRRC

1.9

-8.71

-6.81
19 YRIRMGRRC

2.06

-8.72

-6.66
20 YRFRMGRRA

1.75

-8.36

-6.61
21 YRFIMGRRM

1.91

-8.48

-6.57
22 RRIRMGRRM

2.04

-8.6

-6.56
23 RRKRMGRRM

1.84

-8.38

-6.54
24 FRWRMGRRC

1.8

-8.19

-6.39
25 YRFRMGRRC

2.52

-8.87

-6.35
26 RRFRMGRRC

1.97

-8.23

-6.26
27 FRFRMGRRM

2.63

-8.7

-6.07
28 RRWRMGRRC

1.93

-7.96

-6.03
29 YRWRMGRRA

2.05

-7.8

-5.75
30 RRKRMGRRC

2.5

-8.12

-5.62

 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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