Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-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 2.876 ΔGbinding -3.057
TOTAL
 -0.181
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.336
Van der Waals -4.715 Backbone clash 0.626
Electrostatics -0.141 Helix dipole 0.000
Solvation Polar 6.778 Water bridges -0.001
Solvation Hyd -6.106 Disulfide 0.000
VdW clashes 0.811 Electrost. Kon -0.074
Entropy sc 1.010 Part.cov.bonds 0.000
Entropy mc

2.095

 ΔGstability

32.457
       

Predicted ligand sequences for model [SLA1-D3_1CSK-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-D3_1CSK-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRARDIWR 0.0
2 RRRARMIWR 0.02
3 RRRARLIWR 0.06
4 RRRARFIWR 0.07
5 RRRARDIWW 0.1
6 RRRARMIWW 0.12
7 RRRARDIWY 0.15
8 RRRARLIWW 0.16
9 RRRARFIWW 0.17
10 RRRARMIWY 0.18
11 RRRARDIWF 0.18
12 RRRARMIWF 0.2
13 RRRARLIWY 0.22
14 RRRARFIWY 0.23
15 RRRARLIWF 0.24
16 RRRARFIWF 0.25
17 RKRARDIWR 0.31
18 RHRARDIWR 0.31
19 RKRARMIWR 0.33
20 RHRARMIWR 0.33
21 RRRAWDIWR 0.33
22 RRRAWMIWR 0.35
23 RKRARLIWR 0.37
24 RHRARLIWR 0.37
25 RKRARFIWR 0.38
26 RHRARFIWR 0.38
27 RRRAWLIWR 0.39
28 RRRAWFIWR 0.4
29 RKRARDIWW 0.41
30 RHRARDIWW 0.41
31 RKRARMIWW 0.43
32 RHRARMIWW 0.43
33 RRRAWDIWW 0.43
34 RRRAWMIWW 0.45
35 RHRARLIWW 0.47
36 RKRARLIWW 0.47
37 RKRARDIWY 0.47
38 RHRARDIWY 0.47
39 RKRARFIWW 0.48
40 RHRARFIWW 0.48
41 RRRAWDIWY 0.48
42 RKRARMIWY 0.49
43 RHRARMIWY 0.49
44 RKRARDIWF 0.49
45 RHRARDIWF 0.49
46 RRRAWLIWW 0.49
47 RRRAWMIWY 0.5
48 RRRAWFIWW 0.5
49 RKRARMIWF 0.51
50 RHRARMIWF 0.51
51 RRRAWDIWF 0.51
52 RRRAWMIWF 0.53
53 RKRARLIWY 0.53
54 RHRARLIWY 0.53
55 RKRARFIWY 0.54
56 RHRARFIWY 0.54
57 RRRAWLIWY 0.54
58 RKRARLIWF 0.55
59 RHRARLIWF 0.55
60 RRRAWFIWY 0.55
61 RKRARFIWF 0.56
62 RHRARFIWF 0.56
63 RRRAWLIWF 0.57
64 RRRAWFIWF 0.58
65 RKRAWDIWR 0.64
66 RHRAWDIWR 0.64
67 RHRAWMIWR 0.66
68 RKRAWMIWR 0.66
69 RKRAWLIWR 0.7
70 RHRAWLIWR 0.7
71 RKRAWFIWR 0.71
72 RHRAWFIWR 0.71
73 RHRAWDIWW 0.74
74 RKRAWDIWW 0.74
75 RHRAWMIWW 0.76
76 RKRAWMIWW 0.76
77 RHRAWDIWY 0.79
78 RKRAWDIWY 0.79
79 RKRAWLIWW 0.8
80 RHRAWLIWW 0.8
81 RKRAWFIWW 0.81
82 RHRAWFIWW 0.81
83 RHRAWMIWY 0.82
84 RKRAWMIWY 0.82
85 RKRAWDIWF 0.82
86 RHRAWDIWF 0.82
87 RKRAWMIWF 0.84
88 RHRAWMIWF 0.84
89 RKRAWLIWY 0.85
90 RHRAWLIWY 0.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHRARMIWR

6.22

-9.55

-3.33
2 RRRARMIWW

6.27

-9.11

-2.84
3 RRRARFIWY

6.59

-9.4

-2.81
4 RRRARFIWR

5.97

-8.34

-2.37
5 RRRARMIWF

5.83

-7.88

-2.05
6 RHRARDIWR

6.03

-7.99

-1.96
7 RRRARLIWR

6.23

-8.07

-1.84
8 RHRARLIWR

6.59

-8.42

-1.83
9 RKRARLIWR

6.37

-8.12

-1.75
10 RHRARFIWR

5.65

-7.39

-1.74
11 RRRARDIWR

6.29

-8.03

-1.74
12 RRRARDIWW

6.54

-8.16

-1.62
13 RKRARMIWR

6.51

-7.97

-1.46
14 RRRARLIWF

5.91

-7.36

-1.45
15 RRRARLIWW

6.16

-7.48

-1.32
16 RRRARMIWY

5.66

-6.96

-1.3
17 RRRARMIWR

5.64

-6.91

-1.27
18 RHRARDIWW

6.77

-7.63

-0.86
19 RKRARDIWW

5.53

-6.16

-0.63
20 RRRAWLIWR

6.11

-6.73

-0.62
21 RRRARDIWF

6.38

-7.0

-0.62
22 RRRARFIWF

6.39

-7.0

-0.61
23 RKRARDIWR

5.68

-6.18

-0.5
24 RRRARDIWY

6.33

-6.6

-0.27
25 RRRARLIWY

6.75

-6.91

-0.16
26 RKRARFIWR

6.72

-6.51

0.21
27 RRRARFIWW

6.31

-6.09

0.22
28 RRRAWDIWR

5.94

-5.67

0.27
29 RRRAWFIWR

6.8

-5.09

1.71
30 RRRAWMIWR

6.91

-4.95

1.96

 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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