Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-14.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 5.111 ΔGbinding -3.076
TOTAL
 2.035
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.494
Van der Waals -4.389 Backbone clash 0.114
Electrostatics 0.111 Helix dipole 0.000
Solvation Polar 4.791 Water bridges 0.000
Solvation Hyd -6.270 Disulfide 0.000
VdW clashes 0.070 Electrost. Kon 0.030
Entropy sc 0.704 Part.cov.bonds 0.000
Entropy mc

3.935

 ΔGstability

26.128
       

Predicted ligand sequences for model [LSB1_1CKA-14.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).
 
  LSB1_1CKA-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPIIMKYI 0.0
2 RWFIIMKYI 0.0
3 RWYIIMKYI 0.08
4 RWPIIMWYI 0.12
5 RWFIIMWYI 0.12
6 RWPIIMIYI 0.13
7 RWFIIMIYI 0.14
8 RWFIVMKYI 0.14
9 RWPIVMKYI 0.14
10 RWYIIMWYI 0.2
11 RWYIIMIYI 0.21
12 RWYIVMKYI 0.22
13 KWFIIMKYI 0.25
14 KWPIIMKYI 0.25
15 RWFIVMWYI 0.26
16 RWPIVMWYI 0.26
17 RWPIVMIYI 0.27
18 RWFIVMIYI 0.27
19 RWPIIMKYF 0.3
20 RWFIIMKYF 0.3
21 RWPIKMKYI 0.31
22 RWFIKMKYI 0.31
23 RWFIIMKKI 0.33
24 KWYIIMKYI 0.33
25 RWPIIMKKI 0.33
26 RWYIVMWYI 0.34
27 RWYIVMIYI 0.35
28 KWPIIMWYI 0.37
29 KWFIIMWYI 0.37
30 RWYIIMKYF 0.38
31 KWPIIMIYI 0.38
32 KWFIIMIYI 0.38
33 KWPIVMKYI 0.38
34 RWYIKMKYI 0.39
35 KWFIVMKYI 0.39
36 RWYIIMKKI 0.41
37 RWPIIMWYF 0.42
38 RWFIIMWYF 0.42
39 RWFIKMWYI 0.43
40 RWPIKMWYI 0.43
41 RWFIKMIYI 0.44
42 IWPIIMKYI 0.44
43 RWFIIMIYF 0.44
44 RWPIIMIYF 0.44
45 RWPIKMIYI 0.44
46 RWFIVMKYF 0.44
47 RWPIVMKYF 0.44
48 IWFIIMKYI 0.45
49 RWPIIMWKI 0.45
50 RWFIIMWKI 0.45
51 KWYIIMWYI 0.45
52 RWFIIMIKI 0.46
53 RWPIIMIKI 0.46
54 RWPIVMKKI 0.46
55 KWYIVMKYI 0.46
56 RWFIVMKKI 0.46
57 KWYIIMIYI 0.46
58 RWYIIMWYF 0.5
59 RWYIKMWYI 0.51
60 KWFIVMWYI 0.51
61 KWPIVMWYI 0.51
62 KWPIVMIYI 0.52
63 KWFIVMIYI 0.52
64 RWYIVMKYF 0.52
65 RWYIKMIYI 0.52
66 RWYIIMIYF 0.52
67 IWYIIMKYI 0.52
68 RWYIIMWKI 0.53
69 RWYIIMIKI 0.54
70 RWYIVMKKI 0.54
71 KWPIKMKYI 0.55
72 KWFIIMKYF 0.55
73 KWPIIMKYF 0.55
74 RWFIVMWYF 0.56
75 KWFIKMKYI 0.56
76 IWPIIMWYI 0.56
77 RWPIVMWYF 0.56
78 RWPIVMIYF 0.57
79 KWPIIMKKI 0.57
80 RWFIVMIYF 0.57
81 KWFIIMKKI 0.57
82 IWFIIMWYI 0.57
83 IWFIIMIYI 0.58
84 RWPIVMWKI 0.58
85 KWYIVMWYI 0.58
86 IWPIVMKYI 0.58
87 IWFIVMKYI 0.58
88 IWPIIMIYI 0.58
89 RWFIVMWKI 0.58
90 KWYIVMIYI 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWYIVMWYI

5.64

-9.04

-3.4
2 RWFIVMWYI

6.61

-9.64

-3.03
3 KWYIIMKYI

5.96

-8.79

-2.83
4 KWFIIMWYI

4.75

-7.43

-2.68
5 RWPIIMKKI

7.27

-9.85

-2.58
6 RWPIKMKYI

6.04

-8.5

-2.46
7 RWYIIMKYF

5.21

-7.58

-2.37
8 RWPIVMWYI

5.95

-8.17

-2.22
9 KWPIIMWYI

5.63

-7.46

-1.83
10 RWYIVMIYI

7.05

-8.83

-1.78
11 RWPIVMIYI

7.06

-8.75

-1.69
12 RWFIIMKYI

8.02

-9.63

-1.61
13 RWYIIMKYI

6.26

-7.86

-1.6
14 RWFIVMIYI

7.12

-8.64

-1.52
15 RWYIIMWYI

7.46

-8.78

-1.32
16 RWPIVMKYI

7.39

-8.56

-1.17
17 RWFIIMKKI

7.56

-8.45

-0.89
18 RWYIIMIYI

7.51

-8.31

-0.8
19 RWPIIMWYI

7.79

-8.56

-0.77
20 RWYIVMKYI

8.18

-8.77

-0.59
21 RWFIKMKYI

7.94

-8.53

-0.59
22 RWFIIMWYI

6.99

-7.41

-0.42
23 RWFIIMKYF

8.1

-8.46

-0.36
24 KWPIIMKYI

7.73

-8.03

-0.3
25 RWFIVMKYI

7.38

-7.62

-0.24
26 RWPIIMKYI

8.3

-8.46

-0.16
27 RWPIIMKYF

7.57

-7.51

0.06
28 KWFIIMKYI

8.28

-7.84

0.44
29 RWFIIMIYI

8.8

-7.84

0.96
30 RWPIIMIYI

9.01

-7.09

1.92

 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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