Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-28.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 10
poly-Ala A 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 1.346 ΔGbinding -0.825
TOTAL
 0.521
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.372
Van der Waals -4.007 Backbone clash 0.039
Electrostatics 0.288 Helix dipole 0.000
Solvation Polar 3.922 Water bridges -0.137
Solvation Hyd -5.670 Disulfide 0.000
VdW clashes 2.111 Electrost. Kon 0.377
Entropy sc 1.064 Part.cov.bonds 0.000
Entropy mc

3.405

 ΔGstability

16.344
       

Predicted ligand sequences for model [LSB3_1SSH-28.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_1SSH-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 MKRRFPRPRG 0.0
2 MPRRFPRPRG 0.04
3 MKYRFPRPRG 0.05
4 MKRRIPRPRG 0.07
5 MKRRFPRKRG 0.07
6 MKRRFRRPRG 0.08
7 MPYRFPRPRG 0.09
8 MPRRIPRPRG 0.11
9 FKRRFPRPRG 0.11
10 MPRRFPRKRG 0.11
11 MKYRFPRKRG 0.12
12 WKRRFPRPRG 0.12
13 MKYRIPRPRG 0.12
14 MPRRFRRPRG 0.12
15 MKYRFRRPRG 0.13
16 MKRRIPRKRG 0.14
17 MKRRFRRKRG 0.15
18 FKYRFPRPRG 0.15
19 MKRRIRRPRG 0.15
20 FPRRFPRPRG 0.15
21 MPYRIPRPRG 0.16
22 MKRRFKRPRG 0.16
23 WPRRFPRPRG 0.16
24 MKRRFPRRRG 0.16
25 MPYRFPRKRG 0.16
26 MPYRFRRPRG 0.17
27 FKRRFPRKRG 0.17
28 WKYRFPRPRG 0.17
29 MKRRLPRPRG 0.18
30 FKRRIPRPRG 0.18
31 MPRRIPRKRG 0.18
32 MPRRFRRKRG 0.19
33 WKRRFPRKRG 0.19
34 FKRRFRRPRG 0.19
35 MKYRIPRKRG 0.19
36 MPRRIRRPRG 0.2
37 MKYRFRRKRG 0.2
38 WKRRFRRPRG 0.2
39 MPRRFKRPRG 0.2
40 FPYRFPRPRG 0.2
41 MKYRIRRPRG 0.2
42 WKRRIPRPRG 0.2
43 MPRRFPRRRG 0.2
44 MKYRFKRPRG 0.21
45 MKYRFPRRRG 0.21
46 FPRRFPRKRG 0.21
47 WPYRFPRPRG 0.21
48 MKRRIRRKRG 0.22
49 FKYRFPRKRG 0.22
50 FPRRIPRPRG 0.22
51 MKRRFKRKRG 0.22
52 MPRRLPRPRG 0.22
53 FPRRFRRPRG 0.23
54 MKRRFPRPRS 0.23
55 MPYRIPRKRG 0.23
56 MKRRIKRPRG 0.23
57 WPRRFPRKRG 0.23
58 MKYRLPRPRG 0.23
59 FKYRIPRPRG 0.23
60 MKRRIPRRRG 0.24
61 MKRRFRRRRG 0.24
62 WPRRFRRPRG 0.24
63 FKYRFRRPRG 0.24
64 MPYRIRRPRG 0.24
65 WPRRIPRPRG 0.24
66 WKYRFPRKRG 0.24
67 MPYRFRRKRG 0.24
68 WKYRIPRPRG 0.24
69 FKRRFRRKRG 0.25
70 WKYRFRRPRG 0.25
71 FKRRIPRKRG 0.25
72 MPYRFPRRRG 0.25
73 MKRRLPRKRG 0.25
74 MPYRFKRPRG 0.25
75 WKRRIPRKRG 0.26
76 MKRRLRRPRG 0.26
77 FPYRFPRKRG 0.26
78 FKRRFKRPRG 0.26
79 MPRRFKRKRG 0.26
80 MPRRIRRKRG 0.26
81 FKRRIRRPRG 0.26
82 MPYRLPRPRG 0.27
83 MPRRFPRPRS 0.27
84 FPYRIPRPRG 0.27
85 WKRRFRRKRG 0.27
86 MKYRFKRKRG 0.27
87 MKYRIRRKRG 0.27
88 MPRRIKRPRG 0.27
89 FKRRFPRRRG 0.27
90 MKYRIKRPRG 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPYRIPRPRG

2.23

-14.69

-12.46
2 MKRRLPRPRG

1.68

-14.1

-12.42
3 MKRRIPRKRG

1.87

-14.08

-12.21
4 MKRRIRRPRG

2.18

-14.18

-12.0
5 MPRRFRRPRG

2.36

-14.22

-11.86
6 MKRRFPRRRG

2.57

-14.3

-11.73
7 FKRRIPRPRG

2.3

-13.89

-11.59
8 MKRRIPRPRG

2.25

-13.79

-11.54
9 MPYRFRRPRG

1.77

-13.25

-11.48
10 MPYRFPRKRG

1.94

-13.41

-11.47
11 MKRRFRRKRG

2.73

-14.02

-11.29
12 MKRRFKRPRG

2.29

-13.43

-11.14
13 MKRRFPRKRG

2.15

-13.26

-11.11
14 MKYRFPRKRG

2.09

-13.1

-11.01
15 MPRRIPRPRG

2.53

-13.47

-10.94
16 MPRRFPRPRG

2.21

-12.9

-10.69
17 FPRRFPRPRG

2.93

-13.46

-10.53
18 WKRRFPRPRG

2.75

-13.27

-10.52
19 MKRRFPRPRG

1.89

-12.37

-10.48
20 WPRRFPRPRG

2.65

-13.1

-10.45
21 MPYRFPRPRG

1.69

-12.04

-10.35
22 MPRRFPRKRG

2.09

-12.32

-10.23
23 WKYRFPRPRG

2.49

-12.59

-10.1
24 MKYRFRRPRG

2.45

-12.44

-9.99
25 MKYRIPRPRG

2.12

-12.05

-9.93
26 FKRRFPRKRG

2.24

-12.17

-9.93
27 FKRRFPRPRG

2.49

-11.91

-9.42
28 MKYRFPRPRG

2.41

-11.82

-9.41
29 MKRRFRRPRG

2.35

-11.36

-9.01
30 FKYRFPRPRG

2.16

-10.78

-8.62

 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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