Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-13.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.533 ΔGbinding 2.939
TOTAL
 4.472
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.527
Van der Waals -2.977 Backbone clash 0.099
Electrostatics 0.364 Helix dipole 0.000
Solvation Polar 3.306 Water bridges 0.013
Solvation Hyd -3.918 Disulfide 0.000
VdW clashes 2.634 Electrost. Kon 0.457
Entropy sc 0.456 Part.cov.bonds 0.000
Entropy mc

2.076

 ΔGstability

18.461
       

Predicted ligand sequences for model [LSB3_CKB-OOT-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFRWWRRR 0.0
2 RKRWWRRR 0.0
3 RRRWWRRR 0.03
4 RFKWWRRR 0.03
5 RKKWWRRR 0.03
6 RRKWWRRR 0.06
7 RFPWWRRR 0.08
8 RKPWWRRR 0.08
9 RRPWWRRR 0.11
10 RKRWWPRR 0.15
11 RFRWWPRR 0.15
12 RFKWWPRR 0.17
13 RKKWWPRR 0.17
14 RRRWWPRR 0.18
15 RRKWWPRR 0.2
16 RFRWWFRR 0.22
17 RKRWWFRR 0.22
18 RFPWWPRR 0.22
19 RKPWWPRR 0.23
20 RKKWWFRR 0.24
21 RFKWWFRR 0.24
22 RRRWWFRR 0.25
23 RRPWWPRR 0.26
24 RRKWWFRR 0.27
25 RFPWWFRR 0.29
26 RKPWWFRR 0.3
27 RFRWWRMR 0.32
28 RKRWWRMR 0.32
29 RRPWWFRR 0.33
30 RFKWWRMR 0.35
31 RKKWWRMR 0.35
32 RRRWWRMR 0.35
33 RRKWWRMR 0.38
34 RFRWWRRK 0.39
35 RKRWWRRK 0.39
36 RFPWWRMR 0.4
37 RKPWWRMR 0.4
38 RRRWWRRK 0.42
39 RKRMWRRR 0.42
40 RFKWWRRK 0.42
41 RKKWWRRK 0.42
42 RFRMWRRR 0.42
43 RRPWWRMR 0.43
44 RFKMWRRR 0.44
45 RRRMWRRR 0.45
46 RKKMWRRR 0.45
47 RRKWWRRK 0.45
48 RKRWWPMR 0.47
49 RFPWWRRK 0.47
50 RKPWWRRK 0.47
51 RRKMWRRR 0.47
52 RFRWWPMR 0.47
53 RFKWWPMR 0.49
54 RKKWWPMR 0.49
55 RRRWWPMR 0.5
56 RKPMWRRR 0.5
57 RFPMWRRR 0.5
58 RRPWWRRK 0.5
59 RRKWWPMR 0.52
60 RRPMWRRR 0.53
61 RFRWWFMR 0.54
62 RKRWWPRK 0.54
63 RFRWWPRK 0.54
64 RKRWWFMR 0.54
65 RKPWWPMR 0.55
66 RFPWWPMR 0.55
67 RFKWWPRK 0.56
68 RKKWWFMR 0.56
69 RFKWWFMR 0.56
70 RFRMWPRR 0.56
71 RKRMWPRR 0.57
72 RRRWWPRK 0.57
73 RRRWWFMR 0.57
74 RKKWWPRK 0.57
75 RRPWWPMR 0.58
76 RRKWWPRK 0.59
77 RRRMWPRR 0.59
78 RFKMWPRR 0.59
79 RRKWWFMR 0.59
80 RKKMWPRR 0.59
81 RKRWWFRK 0.61
82 RFRWWFRK 0.61
83 RKPWWFMR 0.62
84 RFPWWFMR 0.62
85 RKPWWPRK 0.62
86 RFPWWPRK 0.62
87 RRKMWPRR 0.62
88 RFKWWFRK 0.63
89 RRRWWFRK 0.64
90 RKKWWFRK 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKKWWFRR

2.27

-4.12

-1.85
2 RFKWWRMR

1.92

-3.76

-1.84
3 RKRWWRMR

2.26

-3.89

-1.63
4 RKKWWRRR

2.58

-4.05

-1.47
5 RKPWWRRR

2.09

-3.54

-1.45
6 RKPWWFRR

1.99

-3.39

-1.4
7 RKRWWFRR

2.07

-3.38

-1.31
8 RFRWWRRR

2.19

-3.49

-1.3
9 RRRWWPRR

3.39

-4.43

-1.04
10 RRPWWRRR

2.47

-3.5

-1.03
11 RFRWWRMR

2.95

-3.96

-1.01
12 RFPWWRRR

2.31

-3.25

-0.94
13 RFKWWRRR

2.34

-3.22

-0.88
14 RFRWWFRR

2.15

-2.95

-0.8
15 RRRWWRRR

3.9

-4.59

-0.69
16 RKRWWRRR

2.46

-3.07

-0.61
17 RFPWWPRR

3.18

-3.71

-0.53
18 RFKWWFRR

2.12

-2.62

-0.5
19 RKPWWPRR

2.79

-3.16

-0.37
20 RRPWWFRR

2.43

-2.77

-0.34
21 RRRWWFRR

3.61

-3.94

-0.33
22 RFPWWFRR

2.16

-2.36

-0.2
23 RFRWWPRR

3.85

-3.86

-0.01
24 RRKWWFRR

2.27

-2.14

0.13
25 RKRWWPRR

2.79

-2.61

0.18
26 RRKWWRRR

3.52

-3.24

0.28
27 RRKWWPRR

2.98

-2.69

0.29
28 RFKWWPRR

3.69

-3.3

0.39
29 RKKWWPRR

2.82

-2.3

0.52
30 RRPWWPRR

3.75

-3.04

0.71

 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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