Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-15.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 0.486 ΔGbinding -0.905
TOTAL
 -0.419
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.269
Van der Waals -3.037 Backbone clash 0.131
Electrostatics 0.413 Helix dipole 0.000
Solvation Polar 3.130 Water bridges -0.177
Solvation Hyd -4.366 Disulfide 0.000
VdW clashes 0.021 Electrost. Kon 0.502
Entropy sc 0.513 Part.cov.bonds 0.000
Entropy mc

3.103

 ΔGstability

20.540
       

Predicted ligand sequences for model [YSC84_1OOT-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFFKIFKRR 0.0
2 RFWKIFKRR 0.01
3 RFFKIFLRR 0.03
4 RFFKIFRRR 0.04
5 RFWKIFRRR 0.04
6 RFWKIFLRR 0.04
7 RFPKIFKRR 0.08
8 RYWKIFKRR 0.12
9 RFPKIFLRR 0.12
10 RFPKIFRRR 0.12
11 RYFKIFKRR 0.12
12 RYFKIFLRR 0.15
13 RYFKIFRRR 0.15
14 RYWKIFLRR 0.15
15 RYWKIFRRR 0.16
16 RYPKIFKRR 0.2
17 RRWKIFKRR 0.2
18 RRFKIFKRR 0.2
19 RFFKKFKRR 0.21
20 RFWKKFKRR 0.22
21 RYPKIFLRR 0.23
22 RRFKIFLRR 0.23
23 RRWKIFRRR 0.24
24 RRWKIFLRR 0.24
25 RYPKIFRRR 0.24
26 RRFKIFRRR 0.24
27 RFFKKFLRR 0.25
28 RFFKKFRRR 0.25
29 RFWKKFLRR 0.25
30 RFWKKFRRR 0.26
31 RRPKIFKRR 0.28
32 RFWKWFKRR 0.29
33 RFPKKFKRR 0.29
34 RFFKWFKRR 0.29
35 RRPKIFLRR 0.31
36 RFFKWFLRR 0.32
37 RRPKIFRRR 0.32
38 RFFKWFRRR 0.33
39 RFWKWFRRR 0.33
40 RYWKKFKRR 0.33
41 RFPKKFLRR 0.33
42 RYFKKFKRR 0.33
43 RFPKKFRRR 0.33
44 RFWKWFLRR 0.33
45 RYFKKFLRR 0.36
46 RYWKKFRRR 0.37
47 RFPKWFKRR 0.37
48 RYWKKFLRR 0.37
49 RYFKKFRRR 0.37
50 RFPKWFLRR 0.4
51 RYFKWFKRR 0.4
52 RFPKWFRRR 0.41
53 RYWKWFKRR 0.41
54 RYPKKFKRR 0.41
55 RRFKKFKRR 0.41
56 RRWKKFKRR 0.42
57 RYPKKFLRR 0.44
58 RYWKWFLRR 0.44
59 RFFKIYKRR 0.44
60 MFFKIFKRR 0.44
61 RYFKWFRRR 0.44
62 RYFKWFLRR 0.44
63 RRFKKFLRR 0.44
64 RFWKIYKRR 0.44
65 RYWKWFRRR 0.45
66 RYPKKFRRR 0.45
67 RRWKKFRRR 0.45
68 MFWKIFKRR 0.45
69 RRFKKFRRR 0.45
70 RRWKKFLRR 0.45
71 RFFKIYLRR 0.47
72 RFWKIYLRR 0.47
73 MFFKIFRRR 0.48
74 RRFKWFKRR 0.48
75 RYPKWFKRR 0.48
76 RFFKIYRRR 0.48
77 MFWKIFLRR 0.48
78 RFWKIYRRR 0.48
79 MFFKIFLRR 0.48
80 RRWKWFKRR 0.49
81 MFWKIFRRR 0.49
82 RRPKKFKRR 0.49
83 RRFKWFLRR 0.52
84 RRWKWFLRR 0.52
85 RRFKWFRRR 0.52
86 RYPKWFRRR 0.52
87 RYPKWFLRR 0.52
88 RFPKIYKRR 0.52
89 RRPKKFLRR 0.53
90 RRPKKFRRR 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFPKIFKRR

1.8

-10.15

-8.35
2 RFPKIFLRR

1.63

-9.59

-7.96
3 RYFKIFKRR

2.75

-10.68

-7.93
4 RYWKIFKRR

1.88

-9.56

-7.68
5 RFPKIFRRR

1.96

-9.61

-7.65
6 RYPKIFLRR

1.82

-9.42

-7.6
7 RFFKKFRRR

1.32

-8.89

-7.57
8 RYPKIFRRR

2.22

-9.75

-7.53
9 RYPKIFKRR

1.74

-9.1

-7.36
10 RFFKIFLRR

1.75

-8.92

-7.17
11 RFWKIFLRR

1.65

-8.8

-7.15
12 RYWKIFLRR

2.21

-9.2

-6.99
13 RRFKIFKRR

2.01

-8.91

-6.9
14 RYWKIFRRR

1.7

-8.59

-6.89
15 RFFKKFKRR

1.39

-8.25

-6.86
16 RFFKIFKRR

1.59

-8.44

-6.85
17 RFFKIFRRR

1.68

-8.31

-6.63
18 RFWKKFRRR

1.08

-7.62

-6.54
19 RRWKIFRRR

3.16

-9.47

-6.31
20 RYFKIFRRR

3.08

-9.36

-6.28
21 RFWKKFLRR

2.3

-8.53

-6.23
22 RFWKKFKRR

1.82

-7.85

-6.03
23 RFFKKFLRR

1.58

-7.48

-5.9
24 RYFKIFLRR

2.09

-7.92

-5.83
25 RRFKIFLRR

1.55

-7.32

-5.77
26 RFWKIFKRR

2.46

-8.16

-5.7
27 RRFKIFRRR

2.35

-7.97

-5.62
28 RFWKIFRRR

2.36

-7.28

-4.92
29 RRWKIFLRR

2.35

-6.86

-4.51
30 RRWKIFKRR

3.02

-6.81

-3.79

 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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