Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-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 1.674 ΔGbinding -1.192
TOTAL
 0.482
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.358
Van der Waals -4.676 Backbone clash 0.389
Electrostatics -0.132 Helix dipole 0.000
Solvation Polar 6.231 Water bridges 0.004
Solvation Hyd -6.233 Disulfide 0.000
VdW clashes 3.377 Electrost. Kon -0.077
Entropy sc 0.679 Part.cov.bonds 0.000
Entropy mc

2.327

 ΔGstability

40.789
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-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_UJ0-CSK-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRARPRRR 0.0
2 RRRARPRRP 0.01
3 RRRARRRRR 0.05
4 RRRARPRRW 0.06
5 RRRARRRRP 0.06
6 RRRARRRRW 0.11
7 RRRARPRRH 0.13
8 RRRSRPRRR 0.14
9 RRRSRPRRP 0.15
10 RRRARLRRR 0.15
11 RRRARLRRP 0.16
12 RRRARRRRH 0.18
13 RRRSRRRRR 0.19
14 RRRARMRRR 0.19
15 RRRSRPRRW 0.2
16 RRRSRRRRP 0.2
17 RRRARMRRP 0.2
18 RRRARLRRW 0.21
19 RKRARPRRR 0.24
20 RKRARPRRP 0.25
21 RRRSRRRRW 0.25
22 RRRARMRRW 0.25
23 RRRSRPRRH 0.27
24 RHRARPRRR 0.28
25 RRRARLRRH 0.28
26 RHRARPRRP 0.29
27 RRRSRLRRR 0.29
28 RKRARRRRR 0.29
29 RRRSRLRRP 0.3
30 RKRARPRRW 0.3
31 RKRARRRRP 0.3
32 RRRSRRRRH 0.32
33 RRRARMRRH 0.32
34 RRRSRMRRR 0.33
35 RHRARRRRR 0.33
36 RRRSRMRRP 0.34
37 RHRARPRRW 0.34
38 RHRARRRRP 0.35
39 RRRSRLRRW 0.35
40 RKRARRRRW 0.35
41 RKRARPRRH 0.37
42 RKRSRPRRR 0.38
43 RRRSRMRRW 0.39
44 RHRARRRRW 0.39
45 RKRARLRRR 0.39
46 RKRSRPRRP 0.39
47 RKRARLRRP 0.4
48 RHRARPRRH 0.41
49 RHRSRPRRR 0.42
50 RRRSRLRRH 0.42
51 RKRARRRRH 0.42
52 RHRARLRRR 0.43
53 RKRARMRRR 0.43
54 RKRSRRRRR 0.43
55 RHRARLRRP 0.44
56 RKRARMRRP 0.44
57 RKRSRRRRP 0.44
58 RHRSRPRRP 0.44
59 RKRSRPRRW 0.44
60 RKRARLRRW 0.45
61 RRRSRMRRH 0.46
62 RHRARRRRH 0.46
63 RHRARMRRR 0.47
64 RHRSRRRRR 0.47
65 RHRARMRRP 0.48
66 RHRSRPRRW 0.48
67 RHRARLRRW 0.49
68 RKRARMRRW 0.49
69 RHRSRRRRP 0.49
70 RKRSRRRRW 0.49
71 RKRSRPRRH 0.51
72 RKRARLRRH 0.52
73 RHRARMRRW 0.53
74 RHRSRRRRW 0.53
75 RKRSRLRRR 0.53
76 RKRSRLRRP 0.54
77 RHRSRPRRH 0.55
78 RHRARLRRH 0.56
79 RKRARMRRH 0.56
80 RKRSRRRRH 0.56
81 RHRSRLRRR 0.57
82 RKRSRMRRR 0.57
83 RHRSRLRRP 0.58
84 RKRSRMRRP 0.58
85 RKRSRLRRW 0.59
86 RHRARMRRH 0.6
87 RHRSRRRRH 0.6
88 RHRSRMRRR 0.61
89 RHRSRMRRP 0.62
90 RKRSRMRRW 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRARPRRW

3.07

-13.22

-10.15
2 RRRARMRRP

3.34

-13.06

-9.72
3 RHRARPRRP

3.39

-12.55

-9.16
4 RKRARPRRP

3.25

-11.88

-8.63
5 RRRARPRRH

2.93

-11.41

-8.48
6 RRRARRRRP

3.95

-12.42

-8.47
7 RRRARLRRW

3.47

-11.91

-8.44
8 RRRSRPRRW

4.04

-12.23

-8.19
9 RRRARPRRR

3.67

-11.81

-8.14
10 RRRARMRRR

3.91

-11.88

-7.97
11 RRRARLRRR

3.54

-11.47

-7.93
12 RRRSRPRRP

3.89

-11.69

-7.8
13 RRRARPRRP

3.65

-11.24

-7.59
14 RRRARRRRW

3.68

-11.07

-7.39
15 RKRARPRRR

3.31

-10.7

-7.39
16 RHRARPRRR

4.13

-11.49

-7.36
17 RRRSRRRRP

4.07

-11.43

-7.36
18 RRRSRRRRR

3.78

-11.09

-7.31
19 RRRSRLRRR

3.58

-10.86

-7.28
20 RRRARRRRR

4.06

-11.18

-7.12
21 RRRSRLRRP

3.52

-10.63

-7.11
22 RKRARRRRR

3.42

-10.31

-6.89
23 RRRARRRRH

3.85

-10.73

-6.88
24 RRRARMRRW

3.66

-10.3

-6.64
25 RRRARLRRP

3.87

-10.03

-6.16
26 RRRSRRRRW

3.73

-9.86

-6.13
27 RKRARPRRW

3.43

-9.51

-6.08
28 RRRSRPRRH

4.79

-10.56

-5.77
29 RRRARLRRH

3.27

-9.02

-5.75
30 RRRSRPRRR

4.54

-9.72

-5.18

 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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