Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-1.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 10
poly-Ala
A
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 3.924 ΔGbinding -4.344
TOTAL
 -0.420
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.996
Van der Waals -3.869 Backbone clash 0.277
Electrostatics -0.131 Helix dipole 0.000
Solvation Polar 3.708 Water bridges -0.028
Solvation Hyd -5.984 Disulfide 0.000
VdW clashes 0.056 Electrost. Kon -0.213
Entropy sc 0.901 Part.cov.bonds 0.000
Entropy mc

1.770

 ΔGstability

16.129
       

Predicted ligand sequences for model [LSB3_CKB-OOT-1.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_CKB-OOT-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RNRIRRRRIY 0.0
2 RNRIRWRRIY 0.02
3 RNRIRFRRIY 0.02
4 RNRIRRPRIY 0.14
5 RNRIRWPRIY 0.16
6 RNRIYRRRIY 0.16
7 RNRIRFPRIY 0.16
8 RNRIYFRRIY 0.18
9 RNRIYWRRIY 0.18
10 RNRIRRRDIY 0.18
11 RNRIRRRRLY 0.19
12 RNRIKRRRIY 0.2
13 RNRIRFRDIY 0.2
14 RNRIRWRDIY 0.2
15 RNRIRWRRLY 0.21
16 RNRIRFRRLY 0.21
17 RNRIKFRRIY 0.21
18 RNRIKWRRIY 0.22
19 RNKIRRRRIY 0.26
20 RNKIRFRRIY 0.28
21 RNKIRWRRIY 0.28
22 RNRIRRRPIY 0.28
23 RNPIRRRRIY 0.29
24 RNRIYRPRIY 0.3
25 RNRIRWRPIY 0.3
26 RNRIRFRPIY 0.3
27 RNPIRFRRIY 0.31
28 RNPIRWRRIY 0.31
29 RNRIYFPRIY 0.32
30 RNRIYWPRIY 0.32
31 RNRIRRPDIY 0.32
32 RNRIRRPRLY 0.33
33 RNRIKRPRIY 0.34
34 RNRIRFPDIY 0.34
35 RNRIYRRDIY 0.34
36 RNRIRWPDIY 0.34
37 RNRIYRRRLY 0.35
38 RNRIRWPRLY 0.35
39 RNRIKFPRIY 0.35
40 RNRIRFPRLY 0.35
41 RNRIYWRDIY 0.36
42 RNRIYFRDIY 0.36
43 RNRIKWPRIY 0.36
44 RNRIKRRDIY 0.37
45 RNRIYFRRLY 0.37
46 RNRIYWRRLY 0.37
47 RNRIRRRDLY 0.37
48 RNRIKRRRLY 0.39
49 RNRIKWRDIY 0.39
50 RNRIRFRDLY 0.39
51 RNRIKFRDIY 0.39
52 RNRIRWRDLY 0.39
53 RNKIRRPRIY 0.4
54 RNRIKFRRLY 0.41
55 RNRIKWRRLY 0.41
56 RNKIRFPRIY 0.42
57 RNRIRRPPIY 0.42
58 RNRKRRRRIY 0.42
59 RNKIYRRRIY 0.42
60 RNKIRWPRIY 0.42
61 RNRIRRRRIW 0.43
62 RNPIRRPRIY 0.43
63 RNKIYWRRIY 0.44
64 RNKIRRRDIY 0.44
65 RNKIYFRRIY 0.44
66 RNRIYRRPIY 0.44
67 RNRIRFPPIY 0.44
68 RNRIRFRRIW 0.44
69 RNRKRFRRIY 0.44
70 RNRIRWPPIY 0.44
71 RNPIRFPRIY 0.45
72 RNPIYRRRIY 0.45
73 RNRIRWRRIW 0.45
74 RNRKRWRRIY 0.45
75 RNPIRWPRIY 0.45
76 RNKIKRRRIY 0.46
77 RNKIRRRRLY 0.46
78 RNKIRFRDIY 0.46
79 RNKIRWRDIY 0.46
80 RNRIYWRPIY 0.46
81 RNRIYFRPIY 0.46
82 RNPIRRRDIY 0.47
83 RNRIRRRRIF 0.47
84 RNRIRRRRKY 0.47
85 RNPIYWRRIY 0.47
86 RNKIRFRRLY 0.47
87 RNPIYFRRIY 0.47
88 RNRIRRRPLY 0.48
89 RNPIRRRRLY 0.48
90 RNRIYRPDIY 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RNRIYFPRIY

4.35

-11.46

-7.11
2 RNRIKFRRIY

3.9

-10.71

-6.81
3 RNRIRRRPIY

4.92

-11.64

-6.72
4 RNRIYRRRIY

5.2

-11.49

-6.29
5 RNRIRFRPIY

5.32

-11.5

-6.18
6 RNRIRFRDIY

4.55

-10.56

-6.01
7 RNRIRFPRIY

5.09

-11.06

-5.97
8 RNRIRWRRIY

4.7

-10.5

-5.8
9 RNRIRWRDIY

5.78

-11.25

-5.47
10 RNKIRWRRIY

5.14

-10.59

-5.45
11 RNRIRFRRIY

4.77

-9.86

-5.09
12 RNRIRFRRLY

4.65

-9.5

-4.85
13 RNRIRWPRIY

6.06

-10.89

-4.83
14 RNRIRWRRLY

5.24

-9.94

-4.7
15 RNRIRRRRLY

5.73

-10.34

-4.61
16 RNRIYWPRIY

5.06

-9.51

-4.45
17 RNKIRFRRIY

4.58

-8.95

-4.37
18 RNRIKRRRIY

5.24

-9.55

-4.31
19 RNRIYFRRIY

4.79

-8.97

-4.18
20 RNRIKWRRIY

5.26

-9.42

-4.16
21 RNRIYWRRIY

4.27

-8.23

-3.96
22 RNRIRRRRIY

4.65

-8.45

-3.8
23 RNKIRRRRIY

4.18

-7.68

-3.5
24 RNPIRRRRIY

5.54

-8.92

-3.38
25 RNPIRFRRIY

4.63

-7.74

-3.11
26 RNRIRWRPIY

4.79

-7.8

-3.01
27 RNRIRRPRIY

4.9

-7.85

-2.95
28 RNPIRWRRIY

4.39

-6.99

-2.6
29 RNRIYRPRIY

5.39

-6.79

-1.4
30 RNRIRRRDIY

4.78

-6.02

-1.24

 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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