Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-29.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 10
poly-Ala
A
A
 A
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 0.806 ΔGbinding -2.762
TOTAL
 -1.956
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.428
Van der Waals -3.776 Backbone clash 0.141
Electrostatics -0.331 Helix dipole 0.000
Solvation Polar 3.387 Water bridges -0.014
Solvation Hyd -5.673 Disulfide 0.000
VdW clashes 0.168 Electrost. Kon -0.400
Entropy sc 0.514 Part.cov.bonds 0.000
Entropy mc

2.936

 ΔGstability

48.612
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRMRPPRMR 0.0
2 RRRFRPPRMR 0.0
3 HRRMRPPRMR 0.02
4 HRRFRPPRMR 0.03
5 KRRMRPPRMR 0.05
6 RRRPRPPRMR 0.06
7 KRRFRPPRMR 0.06
8 RRRMRHPRMR 0.07
9 RRRFRHPRMR 0.07
10 HRRPRPPRMR 0.08
11 HRRMRHPRMR 0.09
12 HRRFRHPRMR 0.1
13 KRRPRPPRMR 0.11
14 KRRMRHPRMR 0.12
15 KRRFRHPRMR 0.12
16 RRRPRHPRMR 0.13
17 RRRFRPHRMR 0.14
18 RRRMRPHRMR 0.14
19 HRRPRHPRMR 0.15
20 HRRMRPHRMR 0.16
21 HRRFRPHRMR 0.16
22 RRRFRPRRMR 0.18
23 KRRPRHPRMR 0.18
24 RRRMRPRRMR 0.18
25 KRRMRPHRMR 0.19
26 KRRFRPHRMR 0.19
27 RRKMRPPRMR 0.2
28 RRRPRPHRMR 0.2
29 RRKFRPPRMR 0.2
30 RRRMRHHRMR 0.21
31 HRRMRPRRMR 0.21
32 HRRFRPRRMR 0.21
33 RRRFRHHRMR 0.21
34 HRRPRPHRMR 0.22
35 HRRMRHHRMR 0.23
36 HRKFRPPRMR 0.23
37 HRKMRPPRMR 0.23
38 KRRMRPRRMR 0.23
39 HRRFRHHRMR 0.23
40 RRRPRPRRMR 0.24
41 KRRFRPRRMR 0.24
42 KRKMRPPRMR 0.25
43 KRRPRPHRMR 0.25
44 RRRMRHRRMR 0.25
45 RRRFRHRRMR 0.25
46 KRKFRPPRMR 0.26
47 KRRFRHHRMR 0.26
48 KRRMRHHRMR 0.26
49 HRRPRPRRMR 0.26
50 RRKPRPPRMR 0.26
51 RRRPRHHRMR 0.26
52 RRKFRHPRMR 0.27
53 HRRMRHRRMR 0.27
54 RRKMRHPRMR 0.27
55 HRKPRPPRMR 0.28
56 HRRFRHRRMR 0.28
57 HRRPRHHRMR 0.29
58 HRKMRHPRMR 0.29
59 RRPFRPPRMR 0.29
60 RRPMRPPRMR 0.29
61 KRRPRPRRMR 0.29
62 HRKFRHPRMR 0.3
63 KRRMRHRRMR 0.3
64 RRRPRHRRMR 0.31
65 KRRFRHRRMR 0.31
66 HRPFRPPRMR 0.31
67 HRPMRPPRMR 0.31
68 KRKPRPPRMR 0.31
69 KRKMRHPRMR 0.32
70 KRRPRHHRMR 0.32
71 HRRPRHRRMR 0.33
72 KRKFRHPRMR 0.33
73 RRKPRHPRMR 0.33
74 KRPMRPPRMR 0.34
75 KRPFRPPRMR 0.34
76 RRKFRPHRMR 0.34
77 RRKMRPHRMR 0.34
78 RRPPRPPRMR 0.34
79 HRKPRHPRMR 0.35
80 RRPMRHPRMR 0.35
81 RRPFRHPRMR 0.36
82 KRRPRHRRMR 0.36
83 HRKMRPHRMR 0.36
84 HRKFRPHRMR 0.36
85 HRPPRPPRMR 0.37
86 RRKMRPRRMR 0.38
87 HRPMRHPRMR 0.38
88 RRRMRPPRIR 0.38
89 HRPFRHPRMR 0.38
90 KRKPRHPRMR 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRFRPPRMR

1.58

-19.38

-17.8
2 RRRPRPPRMR

1.45

-18.0

-16.55
3 RRRFRPRRMR

1.55

-17.97

-16.42
4 RRRMRHHRMR

1.62

-17.86

-16.24
5 RRRMRPPRMR

1.45

-17.17

-15.72
6 KRRFRPHRMR

2.13

-17.43

-15.3
7 RRRMRPHRMR

2.04

-17.33

-15.29
8 HRRPRPPRMR

1.62

-16.73

-15.11
9 KRRMRPPRMR

2.12

-17.21

-15.09
10 RRKMRPPRMR

1.39

-16.21

-14.82
11 HRRFRHPRMR

1.44

-16.11

-14.67
12 RRRPRHPRMR

1.98

-16.54

-14.56
13 HRRFRPPRMR

1.41

-15.86

-14.45
14 KRRPRPPRMR

1.3

-15.26

-13.96
15 RRRPRPHRMR

1.88

-15.73

-13.85
16 RRRMRPRRMR

1.67

-15.47

-13.8
17 HRRMRHPRMR

1.37

-15.1

-13.73
18 RRKFRPPRMR

1.36

-15.06

-13.7
19 KRRFRPPRMR

1.49

-15.19

-13.7
20 HRRPRHPRMR

1.18

-14.69

-13.51
21 KRRPRHPRMR

1.38

-14.72

-13.34
22 RRRMRHPRMR

1.21

-14.35

-13.14
23 HRRMRPPRMR

1.33

-14.09

-12.76
24 HRRMRPHRMR

1.3

-13.63

-12.33
25 HRRFRPHRMR

1.54

-13.55

-12.01
26 RRRFRPHRMR

1.87

-13.64

-11.77
27 RRRFRHPRMR

1.45

-12.69

-11.24
28 KRRMRPHRMR

1.34

-12.38

-11.04
29 KRRFRHPRMR

1.31

-12.29

-10.98
30 KRRMRHPRMR

1.52

-12.19

-10.67

 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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