Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 1.376 ΔGbinding -0.652
TOTAL
 0.724
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.857
Van der Waals -3.150 Backbone clash 0.086
Electrostatics 0.375 Helix dipole 0.000
Solvation Polar 3.432 Water bridges -0.008
Solvation Hyd -4.103 Disulfide 0.000
VdW clashes 0.237 Electrost. Kon 0.477
Entropy sc 0.571 Part.cov.bonds 0.000
Entropy mc

1.934

 ΔGstability

14.943
       

Predicted ligand sequences for model [LSB3_CKB-OOT-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPIPYR 0.0
2 FRPIPYK 0.06
3 FRKIPYR 0.06
4 FRRIPYR 0.1
5 FRPMPYR 0.12
6 FRKIPYK 0.12
7 FRRIPYK 0.16
8 FRPIPYM 0.17
9 FRKMPYR 0.17
10 FRPMPYK 0.18
11 FRPKPYR 0.18
12 FRRMPYR 0.21
13 FRKIPYM 0.22
14 FRKMPYK 0.23
15 FRPIPYL 0.24
16 FRPKPYK 0.24
17 FRKKPYR 0.24
18 FRRIPYM 0.26
19 FRRMPYK 0.27
20 FRPRPYR 0.27
21 FRPMPYM 0.28
22 FRRKPYR 0.28
23 FRKIPYL 0.3
24 FRKKPYK 0.3
25 FRKRPYR 0.32
26 FRHIPYR 0.33
27 FRPRPYK 0.33
28 FRRIPYL 0.34
29 FRRKPYK 0.34
30 FRKMPYM 0.34
31 FRPKPYM 0.35
32 FRPFPYR 0.35
33 FRPMPYL 0.36
34 FRRRPYR 0.36
35 FRRMPYM 0.38
36 FRFIPYR 0.38
37 FRKRPYK 0.38
38 FRHIPYK 0.39
39 FRPFPYK 0.41
40 FRKKPYM 0.41
41 FRKFPYR 0.41
42 FRKMPYL 0.41
43 FRRRPYK 0.42
44 FRPKPYL 0.42
45 FRPRPYM 0.43
46 FRFIPYK 0.44
47 FRHMPYR 0.44
48 FRRMPYL 0.45
49 FRRFPYR 0.45
50 FRRKPYM 0.45
51 FRKFPYK 0.47
52 FRKKPYL 0.48
53 FRKRPYM 0.49
54 FRFMPYR 0.49
55 FRHIPYM 0.5
56 FRHKPYR 0.51
57 FRRFPYK 0.51
58 FRHMPYK 0.51
59 FRPRPYL 0.51
60 FRPFPYM 0.52
61 FRRKPYL 0.52
62 FRRRPYM 0.53
63 FRFIPYM 0.55
64 FRKRPYL 0.56
65 FRFMPYK 0.56
66 FRFKPYR 0.56
67 FRHKPYK 0.57
68 FRHIPYL 0.57
69 FRKFPYM 0.57
70 FRHRPYR 0.59
71 FRPFPYL 0.59
72 FRRRPYL 0.6
73 FRRFPYM 0.61
74 FRHMPYM 0.61
75 FRFKPYK 0.62
76 FRFIPYL 0.62
77 FRKFPYL 0.65
78 FRFRPYR 0.65
79 FRHRPYK 0.66
80 FRFMPYM 0.66
81 FRHFPYR 0.68
82 FRHKPYM 0.68
83 FRRFPYL 0.69
84 FRHMPYL 0.69
85 FRFRPYK 0.71
86 FRFFPYR 0.73
87 FRFKPYM 0.73
88 FRHFPYK 0.74
89 FRFMPYL 0.74
90 FRHKPYL 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRPMPYR

1.71

-5.82

-4.11
2 FRKMPYR

1.61

-5.59

-3.98
3 FRRIPYK

1.85

-5.73

-3.88
4 FRKKPYR

1.66

-5.52

-3.86
5 FRRKPYK

1.63

-5.32

-3.69
6 FRKRPYR

1.53

-4.96

-3.43
7 FRRKPYR

1.92

-5.27

-3.35
8 FRRMPYR

2.53

-5.83

-3.3
9 FRKMPYK

1.95

-5.25

-3.3
10 FRKIPYK

1.78

-5.06

-3.28
11 FRRIPYR

1.63

-4.78

-3.15
12 FRPIPYK

2.85

-5.87

-3.02
13 FRKMPYM

1.61

-4.61

-3.0
14 FRRMPYK

2.43

-5.28

-2.85
15 FRPMPYM

1.41

-4.2

-2.79
16 FRPKPYR

2.8

-5.55

-2.75
17 FRRIPYL

2.14

-4.88

-2.74
18 FRPKPYK

1.61

-4.2

-2.59
19 FRPMPYK

2.42

-4.99

-2.57
20 FRKIPYR

2.79

-5.36

-2.57
21 FRHIPYR

1.53

-4.01

-2.48
22 FRRIPYM

2.62

-5.07

-2.45
23 FRPRPYK

2.57

-4.91

-2.34
24 FRPRPYR

2.53

-4.8

-2.27
25 FRPIPYM

2.78

-4.81

-2.03
26 FRPIPYL

3.28

-5.31

-2.03
27 FRKIPYM

3.85

-5.23

-1.38
28 FRKKPYK

2.5

-3.74

-1.24
29 FRKIPYL

3.71

-4.89

-1.18
30 FRPIPYR

2.73

-3.44

-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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