Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-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 1.168 ΔGbinding -1.848
TOTAL
 -0.680
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.641
Van der Waals -2.839 Backbone clash 0.021
Electrostatics 0.070 Helix dipole 0.000
Solvation Polar 2.684 Water bridges 0.000
Solvation Hyd -4.086 Disulfide 0.000
VdW clashes 0.021 Electrost. Kon 0.026
Entropy sc 0.536 Part.cov.bonds 0.000
Entropy mc

2.373

 ΔGstability

60.323
       

Predicted ligand sequences for model [LSB1_1CKB-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).
 
  LSB1_1CKB-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHFFHPKY 0.0
2 RHFFHPKF 0.0
3 RHFFHPKR 0.02
4 RHRFHPKF 0.07
5 RHRFHPKY 0.07
6 RHFFHPRF 0.08
7 RHFFHPRY 0.08
8 RHFLHPKY 0.09
9 RHFLHPKF 0.09
10 RHYFHPKF 0.09
11 RHYFHPKY 0.09
12 RHFMHPKF 0.1
13 RHFMHPKY 0.1
14 RHFFHPRR 0.1
15 RHRFHPKR 0.1
16 RHYFHPKR 0.11
17 RHFMHPKR 0.12
18 RHFLHPKR 0.12
19 RHRFHPRF 0.15
20 RHRFHPRY 0.15
21 RHYFHPRF 0.16
22 RHRLHPKF 0.16
23 RHFMHPRF 0.17
24 RHRMHPKY 0.17
25 RHRMHPKF 0.17
26 RHFLHPRF 0.17
27 RHFLHPRY 0.17
28 RHYFHPRY 0.17
29 RHRLHPKY 0.17
30 RHRFHPRR 0.17
31 RHFMHPRY 0.18
32 RHYLHPKF 0.18
33 RHYLHPKY 0.18
34 RHYMHPKF 0.18
35 RHRMHPKR 0.19
36 RHFLHPRR 0.19
37 RHYFHPRR 0.19
38 RHRLHPKR 0.19
39 RHYMHPKY 0.19
40 RHYLHPKR 0.2
41 RHFMHPRR 0.2
42 RHFFHPMF 0.2
43 RHFFHRKF 0.2
44 RHFFHPMY 0.21
45 RHFFHRKY 0.21
46 RHYMHPKR 0.21
47 RHFFHFKY 0.22
48 RHFFHFKF 0.22
49 RHFFHPMR 0.23
50 RHFFHRKR 0.23
51 RHRLHPRF 0.24
52 RHRLHPRY 0.24
53 RHFFHFKR 0.25
54 RHRMHPRF 0.25
55 RHRMHPRY 0.25
56 RHYMHPRY 0.26
57 RHYLHPRY 0.26
58 RHYLHPRF 0.26
59 RHYMHPRF 0.26
60 RHRMHPRR 0.27
61 RHRLHPRR 0.27
62 RHRFHPMY 0.28
63 RHRFHPMF 0.28
64 RHYLHPRR 0.28
65 RHRFHRKY 0.28
66 RHRFHRKF 0.28
67 RHFFHRRY 0.28
68 RHFFHRRF 0.28
69 RHYMHPRR 0.29
70 RHYFHRKY 0.29
71 RHYFHRKF 0.29
72 RHYFHPMY 0.29
73 RHYFHPMF 0.29
74 RHRFHFKF 0.29
75 RHFMHRKF 0.3
76 RHFMHRKY 0.3
77 RHRFHPMR 0.3
78 RHFLHRKY 0.3
79 RHFLHRKF 0.3
80 RHFFHFRY 0.3
81 RHFFHFRF 0.3
82 RHFMHPMY 0.3
83 RHFMHPMF 0.3
84 RHRFHFKY 0.3
85 RHFLHPMY 0.3
86 RHFLHPMF 0.3
87 RHRFHRKR 0.3
88 RHFFHRRR 0.3
89 RHFLHFKF 0.31
90 RHYFHFKY 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHFLHPRY

2.49

-9.55

-7.06
2 RHFLHPKF

2.37

-8.48

-6.11
3 RHFLHPKY

2.34

-7.72

-5.38
4 RHFMHPRF

2.38

-7.63

-5.25
5 RHRLHPKY

2.38

-7.33

-4.95
6 RHRFHPKR

4.38

-8.97

-4.59
7 RHRMHPKY

2.4

-6.84

-4.44
8 RHRFHPRF

2.39

-6.75

-4.36
9 RHYFHPKY

2.63

-6.8

-4.17
10 RHFFHPRF

2.74

-6.87

-4.13
11 RHFMHPKF

3.37

-7.46

-4.09
12 RHRFHPKY

2.44

-6.53

-4.09
13 RHFMHPKY

2.48

-6.54

-4.06
14 RHRLHPKF

2.78

-6.79

-4.01
15 RHFLHPRF

2.3

-6.13

-3.83
16 RHRFHPKF

2.63

-6.46

-3.83
17 RHFLHPKR

3.72

-7.54

-3.82
18 RHFFHPRR

4.01

-7.73

-3.72
19 RHFMHPKR

4.15

-7.87

-3.72
20 RHRMHPKF

2.6

-6.29

-3.69
21 RHYFHPKF

2.61

-5.97

-3.36
22 RHRFHPRR

3.9

-7.21

-3.31
23 RHFFHPKF

3.25

-6.55

-3.3
24 RHYFHPRF

2.55

-5.74

-3.19
25 RHYFHPKR

3.68

-6.56

-2.88
26 RHFFHPKY

2.66

-5.5

-2.84
27 RHFFHPKR

3.78

-6.58

-2.8
28 RHRFHPRY

2.28

-5.01

-2.73
29 RHFFHPRY

2.87

-4.71

-1.84
30 RHYFHPRY

2.45

-4.09

-1.64

 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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