Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-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 1.484 ΔGbinding -1.456
TOTAL
 0.028
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.593
Van der Waals -3.796 Backbone clash 0.125
Electrostatics 0.280 Helix dipole 0.000
Solvation Polar 3.696 Water bridges -0.002
Solvation Hyd -5.533 Disulfide 0.000
VdW clashes 0.535 Electrost. Kon 0.316
Entropy sc 0.710 Part.cov.bonds 0.000
Entropy mc

3.020

 ΔGstability

21.667
       

Predicted ligand sequences for model [YSC84_1OOT-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).
 
  YSC84_1OOT-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFMMGRRR 0.0
2 RRYMMGRRR 0.01
3 RRFMHGRRR 0.02
4 RRRMMGRRR 0.03
5 RRYMHGRRR 0.04
6 RRRMHGRRR 0.06
7 RRFRMGRRR 0.1
8 RRYRMGRRR 0.11
9 RRFMFGRRR 0.11
10 LRFMMGRRR 0.11
11 RRYMFGRRR 0.12
12 LRYMMGRRR 0.12
13 LRFMHGRRR 0.13
14 RRFRHGRRR 0.13
15 RRRRMGRRR 0.13
16 LRRMMGRRR 0.14
17 RRRMFGRRR 0.14
18 LRYMHGRRR 0.14
19 RRYRHGRRR 0.14
20 RRRRHGRRR 0.16
21 LRRMHGRRR 0.16
22 RRFMMGRRK 0.18
23 RRYMMGRRK 0.19
24 LRFRMGRRR 0.21
25 RRRMMGRRK 0.21
26 RRFMHGRRK 0.21
27 RRFRFGRRR 0.21
28 LRYRMGRRR 0.22
29 RRYMHGRRK 0.22
30 MRFMMGRRR 0.22
31 RRYRFGRRR 0.22
32 LRFMFGRRR 0.22
33 LRYMFGRRR 0.23
34 LRFRHGRRR 0.23
35 MRYMMGRRR 0.23
36 MRFMHGRRR 0.24
37 RRRRFGRRR 0.24
38 LRYRHGRRR 0.24
39 LRRRMGRRR 0.24
40 RRRMHGRRK 0.24
41 MRYMHGRRR 0.25
42 MRRMMGRRR 0.25
43 LRRMFGRRR 0.25
44 LRRRHGRRR 0.27
45 MRRMHGRRR 0.27
46 RRFRMGRRK 0.28
47 RRFMFGRRK 0.29
48 LRFMMGRRK 0.29
49 RRYRMGRRK 0.3
50 RRYMFGRRK 0.3
51 LRYMMGRRK 0.3
52 LRFMHGRRK 0.31
53 RRFRHGRRK 0.31
54 MRFRMGRRR 0.32
55 LRFRFGRRR 0.32
56 LRRMMGRRK 0.32
57 RRRMFGRRK 0.32
58 RRRRMGRRK 0.32
59 LRYMHGRRK 0.32
60 RRYRHGRRK 0.32
61 MRYRMGRRR 0.33
62 MRFMFGRRR 0.33
63 LRYRFGRRR 0.33
64 RRRRHGRRK 0.34
65 MRFRHGRRR 0.34
66 LRRMHGRRK 0.34
67 MRYMFGRRR 0.34
68 MRYRHGRRR 0.35
69 MRRRMGRRR 0.35
70 LRRRFGRRR 0.35
71 MRRMFGRRR 0.36
72 MRRRHGRRR 0.37
73 LRFRMGRRK 0.39
74 RRFRFGRRK 0.39
75 LRYRMGRRK 0.4
76 LRFMFGRRK 0.4
77 MRFMMGRRK 0.4
78 RRFKMGRRR 0.4
79 RRYRFGRRK 0.4
80 LRYMFGRRK 0.41
81 MRYMMGRRK 0.41
82 RRYKMGRRR 0.41
83 MRFMHGRRK 0.42
84 RRRRFGRRK 0.42
85 RRFKHGRRR 0.42
86 LRFRHGRRK 0.42
87 LRRRMGRRK 0.42
88 MRYMHGRRK 0.43
89 MRFRFGRRR 0.43
90 MRRMMGRRK 0.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 LRRMHGRRR

2.62

-10.5

-7.88
2 LRYRMGRRR

2.62

-10.27

-7.65
3 LRFRMGRRR

1.83

-9.36

-7.53
4 RRFMMGRRK

1.96

-9.14

-7.18
5 LRYMHGRRR

1.57

-8.72

-7.15
6 RRYRHGRRR

2.49

-9.63

-7.14
7 LRFMHGRRR

2.4

-9.37

-6.97
8 RRRRHGRRR

2.73

-9.7

-6.97
9 MRFMMGRRR

2.58

-9.46

-6.88
10 RRRRMGRRR

2.09

-8.92

-6.83
11 LRFMMGRRR

1.8

-8.55

-6.75
12 RRYMHGRRK

2.86

-9.59

-6.73
13 RRFRMGRRR

2.15

-8.88

-6.73
14 LRYMMGRRR

2.85

-9.53

-6.68
15 RRRMMGRRR

2.27

-8.9

-6.63
16 RRRMHGRRR

2.12

-8.74

-6.62
17 RRYMHGRRR

2.4

-9.02

-6.62
18 RRRMFGRRR

3.24

-9.85

-6.61
19 LRRMMGRRR

1.83

-8.43

-6.6
20 RRFMHGRRR

2.79

-9.28

-6.49
21 RRYMMGRRR

2.7

-9.14

-6.44
22 RRYMFGRRR

1.94

-8.19

-6.25
23 RRFRFGRRR

3.01

-9.26

-6.25
24 RRFRHGRRR

2.13

-8.29

-6.16
25 RRRMMGRRK

2.71

-8.85

-6.14
26 RRFMHGRRK

2.19

-8.26

-6.07
27 RRYMMGRRK

1.97

-8.03

-6.06
28 RRFMFGRRR

2.87

-8.87

-6.0
29 RRFMMGRRR

2.01

-7.92

-5.91
30 RRYRMGRRR

2.62

-7.94

-5.32

 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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