Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-20.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 2.893 ΔGbinding -2.387
TOTAL
 0.506
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.195
Van der Waals -5.312 Backbone clash 0.261
Electrostatics -0.125 Helix dipole 0.000
Solvation Polar 6.853 Water bridges -0.012
Solvation Hyd -7.467 Disulfide 0.000
VdW clashes 0.759 Electrost. Kon -0.116
Entropy sc 0.878 Part.cov.bonds 0.000
Entropy mc

3.236

 ΔGstability

50.588
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-20.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-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRSRFGYNM 0.0
2 RRSRMGYNM 0.0
3 RRSRRGYNM 0.09
4 RRSRFGRNM 0.1
5 RRSRMGRNM 0.11
6 RRSKFGYNM 0.14
7 RRSKMGYNM 0.14
8 RRFRFGYNM 0.16
9 RRFRMGYNM 0.17
10 RRSRRGRNM 0.19
11 RRSKRGYNM 0.23
12 RRFRRGYNM 0.25
13 RRSKFGRNM 0.25
14 RRSKMGRNM 0.25
15 RRFRMGRNM 0.27
16 RRSRFGKNM 0.27
17 RRFRFGRNM 0.27
18 RRSRMGKNM 0.27
19 FRSRFGYNM 0.29
20 FRSRMGYNM 0.29
21 RRFKFGYNM 0.3
22 YRSRFGYNM 0.3
23 YRSRMGYNM 0.3
24 RRFKMGYNM 0.31
25 RRSKRGRNM 0.33
26 RRSRMGYRM 0.33
27 RRYRMGYNM 0.33
28 RRYRFGYNM 0.33
29 RRSRFGYRM 0.33
30 RRFRRGRNM 0.36
31 RRSRRGKNM 0.36
32 FRSRRGYNM 0.38
33 YRSRRGYNM 0.38
34 RRFKRGYNM 0.39
35 YRSRFGRNM 0.4
36 YRSRMGRNM 0.4
37 FRSRMGRNM 0.4
38 FRSRFGRNM 0.4
39 RRSRRGYRM 0.41
40 RRFKMGRNM 0.41
41 RRSKMGKNM 0.41
42 RRSKFGKNM 0.41
43 RRFKFGRNM 0.41
44 RRYRRGYNM 0.42
45 FRSKMGYNM 0.43
46 RRSRFGRRM 0.43
47 RRYRFGRNM 0.43
48 FRSKFGYNM 0.43
49 RRFRFGKNM 0.43
50 RRSRMGRRM 0.43
51 YRSKMGYNM 0.44
52 YRSKFGYNM 0.44
53 RRFRMGKNM 0.44
54 RRYRMGRNM 0.44
55 FRFRFGYNM 0.45
56 FRFRMGYNM 0.46
57 YRFRFGYNM 0.46
58 YRFRMGYNM 0.46
59 RRYKMGYNM 0.47
60 RRSKFGYRM 0.47
61 RRSKMGYRM 0.47
62 RRYKFGYNM 0.47
63 FRSRRGRNM 0.48
64 RRFRFGYRM 0.49
65 YRSRRGRNM 0.49
66 RRFRMGYRM 0.49
67 RRSKRGKNM 0.5
68 RRFKRGRNM 0.5
69 FRSKRGYNM 0.52
70 RRSRRGRRM 0.52
71 RRYRRGRNM 0.52
72 RRFRRGKNM 0.52
73 YRSKRGYNM 0.52
74 FRSKMGRNM 0.54
75 YRSKMGRNM 0.54
76 FRFRRGYNM 0.54
77 FRSKFGRNM 0.54
78 YRSKFGRNM 0.54
79 YRFRRGYNM 0.55
80 RRSKRGYRM 0.55
81 YRFRFGRNM 0.56
82 FRFRMGRNM 0.56
83 FRFRFGRNM 0.56
84 FRSRMGKNM 0.56
85 RRYKRGYNM 0.56
86 FRSRFGKNM 0.56
87 YRSRFGKNM 0.57
88 YRFRMGRNM 0.57
89 YRSRMGKNM 0.57
90 RRSKMGRRM 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRFRRGYNM

1.55

-12.57

-11.02
2 RRFRMGRNM

1.54

-12.29

-10.75
3 RRSKMGRNM

1.71

-12.44

-10.73
4 RRFRRGRNM

1.97

-12.7

-10.73
5 RRSRMGRNM

1.52

-12.14

-10.62
6 FRSRMGYNM

1.23

-11.79

-10.56
7 RRYRMGYNM

1.5

-12.04

-10.54
8 RRSRFGKNM

1.46

-12.0

-10.54
9 YRSRMGYNM

1.58

-11.93

-10.35
10 RRFRFGRNM

1.68

-12.02

-10.34
11 RRSRRGYNM

1.36

-11.68

-10.32
12 RRSRRGRNM

1.65

-11.97

-10.32
13 RRSRFGRNM

1.82

-12.08

-10.26
14 RRFKFGYNM

1.45

-11.67

-10.22
15 RRSKFGRNM

1.6

-11.75

-10.15
16 RRSRMGYRM

1.52

-11.65

-10.13
17 RRFRMGYNM

1.81

-11.82

-10.01
18 RRSRMGKNM

1.55

-11.54

-9.99
19 RRSKRGYNM

1.32

-11.29

-9.97
20 RRSKRGRNM

1.83

-11.76

-9.93
21 RRSRFGYNM

1.34

-10.98

-9.64
22 RRYRFGYNM

1.4

-11.02

-9.62
23 FRSRFGYNM

1.32

-10.89

-9.57
24 RRSRFGYRM

1.35

-10.68

-9.33
25 YRSRFGYNM

1.68

-10.99

-9.31
26 RRSRMGYNM

1.59

-10.89

-9.3
27 RRSKMGYNM

1.22

-9.91

-8.69
28 RRSKFGYNM

1.51

-10.13

-8.62
29 RRFKMGYNM

1.12

-9.73

-8.61
30 RRFRFGYNM

1.81

-10.31

-8.5

 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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