Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-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 1.302 ΔGbinding -1.600
TOTAL
 -0.298
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.026
Van der Waals -3.198 Backbone clash 0.010
Electrostatics 0.117 Helix dipole 0.000
Solvation Polar 2.978 Water bridges 0.007
Solvation Hyd -4.561 Disulfide 0.000
VdW clashes 0.035 Electrost. Kon 0.068
Entropy sc 0.497 Part.cov.bonds 0.000
Entropy mc

2.708

 ΔGstability

60.281
       

Predicted ligand sequences for model [LSB1_1CKB-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).
 
  LSB1_1CKB-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPPKHPF 0.0
2 YRPKHPF 0.1
3 YPRKHPF 0.18
4 YPPKHGF 0.2
5 YPPKHSF 0.21
6 YPPKHCF 0.25
7 YPKKHPF 0.25
8 YRRKHPF 0.27
9 YPPIHPF 0.28
10 YRPKHGF 0.29
11 YRPKHSF 0.31
12 YPFKHPF 0.33
13 YRKKHPF 0.34
14 YRPKHCF 0.34
15 YPPMHPF 0.35
16 YPPRHPF 0.36
17 YRPIHPF 0.37
18 YPRKHGF 0.38
19 YPRKHSF 0.39
20 YRFKHPF 0.42
21 YPRKHCF 0.43
22 YRPMHPF 0.44
23 YPKKHGF 0.45
24 YRPRHPF 0.45
25 YPRIHPF 0.45
26 YPKKHSF 0.46
27 YPPIHGF 0.47
28 YRRKHGF 0.47
29 YRRKHSF 0.48
30 YPPIHSF 0.49
31 YPKKHCF 0.5
32 YPPIHCF 0.52
33 YPKIHPF 0.52
34 YRRKHCF 0.52
35 YPRMHPF 0.52
36 YPFKHGF 0.53
37 YPRRHPF 0.53
38 YRKKHGF 0.54
39 YPPMHGF 0.54
40 YPFKHSF 0.54
41 YPPRHGF 0.55
42 YRRIHPF 0.55
43 YRKKHSF 0.55
44 YPPMHSF 0.56
45 YRPIHGF 0.57
46 YPPRHSF 0.57
47 YPFKHCF 0.58
48 YRPIHSF 0.58
49 YRKKHCF 0.59
50 YPKMHPF 0.6
51 YPPRHCF 0.6
52 YPFIHPF 0.6
53 YPKRHPF 0.6
54 YPPMHCF 0.6
55 YRRMHPF 0.62
56 YRKIHPF 0.62
57 YRPIHCF 0.62
58 YRFKHGF 0.62
59 YRRRHPF 0.63
60 YRPMHGF 0.64
61 YRFKHSF 0.64
62 YRPMHSF 0.65
63 YPRIHGF 0.65
64 YRPRHGF 0.65
65 YRPRHSF 0.66
66 YPRIHSF 0.66
67 YRFKHCF 0.67
68 YPFMHPF 0.68
69 YPFRHPF 0.69
70 YRKMHPF 0.69
71 YRPMHCF 0.69
72 YPRIHCF 0.7
73 YRPRHCF 0.7
74 YRKRHPF 0.7
75 YRFIHPF 0.7
76 YPRMHGF 0.72
77 YPKIHGF 0.72
78 YPRRHGF 0.73
79 YPKIHSF 0.73
80 YPRRHSF 0.74
81 YPRMHSF 0.74
82 YRRIHGF 0.75
83 YRRIHSF 0.76
84 YRFMHPF 0.77
85 YPRMHCF 0.77
86 YPKIHCF 0.77
87 YRFRHPF 0.78
88 YPRRHCF 0.78
89 YPKMHGF 0.79
90 YPFIHGF 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPRKHPF

1.55

-9.83

-8.28
2 YPPMHPF

2.54

-10.79

-8.25
3 YPRKHCF

2.71

-10.95

-8.24
4 YPPKHSF

2.97

-11.13

-8.16
5 YPKKHSF

2.42

-10.51

-8.09
6 YPRKHSF

2.66

-10.33

-7.67
7 YPPKHGF

1.81

-9.43

-7.62
8 YPPRHPF

2.45

-10.03

-7.58
9 YPKKHPF

2.93

-10.36

-7.43
10 YPKKHGF

2.3

-9.59

-7.29
11 YPPIHPF

0.94

-8.13

-7.19
12 YPRIHPF

1.0

-7.98

-6.98
13 YPPIHGF

1.11

-8.06

-6.95
14 YPPKHPF

1.81

-8.76

-6.95
15 YPPIHSF

1.02

-7.84

-6.82
16 YRFKHPF

1.98

-8.72

-6.74
17 YRRKHPF

2.01

-8.74

-6.73
18 YRPKHCF

2.55

-9.13

-6.58
19 YPFKHPF

2.09

-8.35

-6.26
20 YPRKHGF

2.47

-8.68

-6.21
21 YRPKHPF

2.37

-8.56

-6.19
22 YRPRHPF

3.38

-9.29

-5.91
23 YPPKHCF

2.39

-8.18

-5.79
24 YRKKHPF

2.47

-8.18

-5.71
25 YRPKHGF

2.93

-8.17

-5.24
26 YRRKHSF

2.52

-7.74

-5.22
27 YRPKHSF

2.5

-7.35

-4.85
28 YRPIHPF

1.19

-5.98

-4.79
29 YRRKHGF

1.96

-6.5

-4.54
30 YRPMHPF

2.74

-7.19

-4.45

 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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