Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-26.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
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 2.866 ΔGbinding -3.248
TOTAL
 -0.382
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.443
Van der Waals -4.084 Backbone clash 0.240
Electrostatics 0.063 Helix dipole 0.000
Solvation Polar 4.224 Water bridges -0.004
Solvation Hyd -5.648 Disulfide 0.000
VdW clashes 0.030 Electrost. Kon 0.004
Entropy sc 1.149 Part.cov.bonds 0.000
Entropy mc

1.850

 ΔGstability

30.764
       

Predicted ligand sequences for model [SLA1-D3_1CSK-26.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-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRFRKPPH 0.0
2 RRRKRKPPH 0.04
3 RKRFRKPPH 0.05
4 RRRFHKPPH 0.08
5 RKRKRKPPH 0.09
6 RRRFKKPPH 0.1
7 RRRKHKPPH 0.12
8 RKRFHKPPH 0.13
9 RRRKKKPPH 0.14
10 RDRFRKPPH 0.14
11 RKRFKKPPH 0.15
12 RDRKRKPPH 0.17
13 RKRKHKPPH 0.17
14 RRKFRKPPH 0.19
15 RKRKKKPPH 0.19
16 DRRFRKPPH 0.22
17 RDRFHKPPH 0.22
18 RRKKRKPPH 0.23
19 RKKFRKPPH 0.24
20 RRRFRKPPK 0.24
21 RDRFKKPPH 0.24
22 RDRKHKPPH 0.25
23 RRRFRKPPW 0.26
24 DRRKRKPPH 0.26
25 RRRRRKPPH 0.26
26 RRKFHKPPH 0.27
27 DKRFRKPPH 0.27
28 RDRKKKPPH 0.27
29 RKKKRKPPH 0.28
30 RRRKRKPPK 0.28
31 RRKFKKPPH 0.29
32 RRRKRKPPW 0.3
33 DRRFHKPPH 0.3
34 RKRFRKPPK 0.3
35 RRKKHKPPH 0.31
36 RKRFRKPPW 0.31
37 DKRKRKPPH 0.31
38 RKRRRKPPH 0.31
39 RKKFHKPPH 0.32
40 DRRFKKPPH 0.32
41 RRRFRKPSH 0.32
42 RKRKRKPPK 0.33
43 RRKKKKPPH 0.33
44 RRRFHKPPK 0.33
45 RDKFRKPPH 0.33
46 DRRKHKPPH 0.34
47 KRRFRKPPH 0.34
48 RRRFRKPKH 0.34
49 RKKFKKPPH 0.34
50 RRRFHKPPW 0.34
51 RRRRHKPPH 0.34
52 RRRFKKPPK 0.35
53 RKRKRKPPW 0.35
54 DKRFHKPPH 0.35
55 RKKKHKPPH 0.36
56 RRRFKKPPW 0.36
57 RRRKRKPSH 0.36
58 DDRFRKPPH 0.36
59 RRRKHKPPK 0.36
60 RRRRKKPPH 0.36
61 DRRKKKPPH 0.36
62 RDKKRKPPH 0.37
63 KRRKRKPPH 0.37
64 RKRFRKPSH 0.37
65 RRRKHKPPW 0.38
66 DKRFKKPPH 0.38
67 RKKKKKPPH 0.38
68 RKRFHKPPK 0.38
69 RRRKKKPPK 0.38
70 RRRKRKPKH 0.38
71 RDRFRKPPK 0.38
72 RKRFRKPKH 0.39
73 DKRKHKPPH 0.39
74 KKRFRKPPH 0.39
75 RKRFHKPPW 0.39
76 RKRRHKPPH 0.39
77 RDRRRKPPH 0.4
78 RRRFHKPSH 0.4
79 RKRFKKPPK 0.4
80 DDRKRKPPH 0.4
81 RRRKKKPPW 0.4
82 RRMFRKPPH 0.4
83 RDRFRKPPW 0.4
84 RDKFHKPPH 0.41
85 RKRRKKPPH 0.41
86 RKRKRKPSH 0.41
87 DKRKKKPPH 0.41
88 RKRFKKPPW 0.41
89 RKRKHKPPK 0.41
90 DRKFRKPPH 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKRKHKPPH

2.93

-10.5

-7.57
2 RKRKRKPPH

2.97

-10.5

-7.53
3 RRRFRKPPW

2.68

-9.96

-7.28
4 DRRFRKPPH

2.74

-10.0

-7.26
5 RRRRRKPPH

3.05

-10.29

-7.24
6 RRRKKKPPH

2.9

-9.96

-7.06
7 RRRFHKPPH

3.31

-10.18

-6.87
8 DRRKRKPPH

2.77

-9.63

-6.86
9 RDRKRKPPH

2.99

-9.81

-6.82
10 RRRKRKPPK

2.69

-9.5

-6.81
11 DKRFRKPPH

2.87

-9.66

-6.79
12 RRRFKKPPH

2.86

-9.44

-6.58
13 RKRFKKPPH

2.62

-9.17

-6.55
14 RDRKHKPPH

2.82

-9.31

-6.49
15 RRRKRKPPH

3.03

-9.5

-6.47
16 RRRKHKPPH

3.07

-9.47

-6.4
17 RDRFKKPPH

2.77

-9.13

-6.36
18 RDRFRKPPH

2.73

-8.97

-6.24
19 RDRKKKPPH

3.11

-9.05

-5.94
20 RKRKKKPPH

2.8

-8.74

-5.94
21 RKKFRKPPH

2.78

-8.71

-5.93
22 RRKFRKPPH

2.71

-8.47

-5.76
23 RKRFRKPPH

3.07

-8.83

-5.76
24 RKKKRKPPH

2.75

-8.48

-5.73
25 RDRFHKPPH

2.73

-8.36

-5.63
26 RRKKRKPPH

2.83

-8.43

-5.6
27 RRRFRKPPH

2.74

-8.28

-5.54
28 RRKFHKPPH

3.21

-8.57

-5.36
29 RRRFRKPPK

3.17

-8.06

-4.89
30 RKRFHKPPH

2.83

-6.6

-3.77

 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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