Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-19.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 3.963 ΔGbinding 0.677
TOTAL
 4.640
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.435
Van der Waals -4.524 Backbone clash 0.064
Electrostatics 0.408 Helix dipole 0.000
Solvation Polar 4.327 Water bridges -0.009
Solvation Hyd -6.576 Disulfide 0.000
VdW clashes 1.555 Electrost. Kon 0.469
Entropy sc 0.590 Part.cov.bonds 0.000
Entropy mc

4.002

 ΔGstability

21.471
       

Predicted ligand sequences for model [LSB3_1OOT-19.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).
 
  LSB3_1OOT-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 FDKRHRRRI 0.0
2 FDRRHRRRI 0.07
3 FMKRHRRRI 0.1
4 FDKRHRYRI 0.1
5 FDKRFRRRI 0.14
6 FDRRHRYRI 0.17
7 FMRRHRRRI 0.17
8 FDKRIRRRI 0.17
9 FDFRHRRRI 0.19
10 FMKRHRYRI 0.2
11 FDRRFRRRI 0.21
12 FDKRHRRRY 0.21
13 FDRRIRRRI 0.23
14 FDKRFRYRI 0.24
15 FMKRFRRRI 0.24
16 FMKRIRRRI 0.26
17 FMRRHRYRI 0.27
18 FDKRIRYRI 0.27
19 FDRRHRRRY 0.28
20 FMFRHRRRI 0.29
21 FDFRHRYRI 0.29
22 FMRRFRRRI 0.3
23 FDKKHRRRI 0.3
24 FMKRHRRRY 0.31
25 FDKRHRYRY 0.31
26 FDRRFRYRI 0.31
27 FDKRHRKRI 0.32
28 FMRRIRRRI 0.33
29 FDFRFRRRI 0.33
30 FMKRFRYRI 0.34
31 FDRRIRYRI 0.34
32 FDFRIRRRI 0.35
33 FDKRFRRRY 0.35
34 FRKRHRRRI 0.36
35 FDRKHRRRI 0.36
36 FMRRHRRRY 0.37
37 FMKRIRYRI 0.37
38 FDKRHRRRG 0.37
39 FDRRHRYRY 0.38
40 FDKRIRRRY 0.38
41 FMFRHRYRI 0.39
42 FDRRHRKRI 0.39
43 FMKKHRRRI 0.4
44 FDFRHRRRY 0.4
45 FDKKHRYRI 0.4
46 FDRRFRRRY 0.41
47 FMKRHRYRY 0.41
48 FMRRFRYRI 0.41
49 FMKRHRKRI 0.42
50 FMFRFRRRI 0.42
51 FDKKFRRRI 0.43
52 FDFRFRYRI 0.43
53 FMRRIRYRI 0.43
54 FRRRHRRRI 0.43
55 FDRRIRRRY 0.44
56 FDRRHRRRG 0.44
57 FMFRIRRRI 0.45
58 FDKRFRYRY 0.45
59 FMKRFRRRY 0.45
60 FDFRIRYRI 0.45
61 FMRKHRRRI 0.46
62 FRKRHRYRI 0.46
63 FDKKIRRRI 0.46
64 FDKRFRKRI 0.46
65 FDKMHRRRI 0.47
66 FMKRIRRRY 0.47
67 FMKRHRRRG 0.47
68 FDKRHRYRG 0.47
69 FDRKHRYRI 0.47
70 FMRRHRKRI 0.48
71 FDKRIRKRI 0.48
72 FMRRHRYRY 0.48
73 FDFKHRRRI 0.48
74 FDKRIRYRY 0.48
75 FMFRHRRRY 0.49
76 FDRKFRRRI 0.5
77 FRKRFRRRI 0.5
78 FMKKHRYRI 0.5
79 FDFRHRYRY 0.5
80 FMRRFRRRY 0.51
81 FDFRHRKRI 0.51
82 FDKRFRRRG 0.51
83 FDKKHRRRY 0.51
84 FDRRFRKRI 0.52
85 FDRRFRYRY 0.52
86 FDRKIRRRI 0.53
87 FRRRHRYRI 0.53
88 FDRMHRRRI 0.53
89 FDKRHRKRY 0.53
90 FMFRFRYRI 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FDRRIRRRI

5.14

-9.43

-4.29
2 FDKRHRYRI

4.69

-7.24

-2.55
3 FMRRFRRRI

4.96

-7.47

-2.51
4 FDKRHRYRY

4.62

-6.77

-2.15
5 FDKRFRYRI

4.74

-6.74

-2.0
6 FDRRHRRRY

4.57

-6.48

-1.91
7 FDRRHRRRI

4.58

-6.46

-1.88
8 FDRRFRRRI

4.89

-6.62

-1.73
9 FMRRIRRRI

4.88

-6.47

-1.59
10 FDKRIRYRI

5.31

-6.87

-1.56
11 FMKRHRRRI

5.14

-6.63

-1.49
12 FDKKHRRRI

4.65

-6.11

-1.46
13 FDKRFRRRI

5.0

-6.39

-1.39
14 FMKRIRRRI

4.89

-6.23

-1.34
15 FDFRHRRRI

4.94

-6.2

-1.26
16 FMKRHRYRI

5.1

-6.15

-1.05
17 FMKRHRRRY

4.63

-5.66

-1.03
18 FDRRFRYRI

4.66

-5.68

-1.02
19 FMKRFRRRI

4.88

-5.78

-0.9
20 FDKRHRRRI

5.41

-6.29

-0.88
21 FDFRHRYRI

4.81

-5.57

-0.76
22 FDKRIRRRI

4.81

-5.45

-0.64
23 FMKRFRYRI

5.12

-5.57

-0.45
24 FMFRHRRRI

4.98

-5.19

-0.21
25 FMRRHRRRI

4.9

-5.05

-0.15
26 FMRRHRYRI

4.78

-4.64

0.14
27 FDKRHRKRI

4.78

-4.41

0.37
28 FDFRFRRRI

5.11

-4.68

0.43
29 FDRRHRYRI

4.56

-3.99

0.57
30 FDKRHRRRY

4.98

-3.91

1.07

 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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