Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-15.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
poly-Ala
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 0.356 ΔGbinding -1.025
TOTAL
 -0.669
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.254
Van der Waals -3.369 Backbone clash 0.143
Electrostatics 0.212 Helix dipole 0.000
Solvation Polar 3.610 Water bridges -0.006
Solvation Hyd -4.859 Disulfide 0.000
VdW clashes 0.040 Electrost. Kon 0.168
Entropy sc 0.415 Part.cov.bonds 0.000
Entropy mc

3.785

 ΔGstability

9.768
       

Predicted ligand sequences for model [SHO1_2VKN-15.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).
 
  SHO1_2VKN-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRIRRMK 0.0
2 RRRRIKRMK 0.12
3 RRRRIRKMK 0.12
4 RRWRIRRMK 0.13
5 RRFRIRRMK 0.13
6 RRRRIRRMM 0.16
7 RRRRWRRMK 0.24
8 RRRRIKKMK 0.24
9 RRFRIKRMK 0.25
10 RRWRIKRMK 0.25
11 RRFRIRKMK 0.25
12 RRRRLRRMK 0.25
13 RRWRIRKMK 0.26
14 RRRRIKRMM 0.28
15 RRRRIRKMM 0.28
16 RRFRIRRMM 0.28
17 RRWRIRRMM 0.29
18 RQRRIRRMK 0.34
19 RRRRWKRMK 0.36
20 RRFRIKKMK 0.37
21 RRRRLKRMK 0.37
22 RRRRIRRIK 0.37
23 RRWRWRRMK 0.37
24 RRFRWRRMK 0.37
25 RRRRWRKMK 0.37
26 RRWRIKKMK 0.38
27 RRFRLRRMK 0.38
28 RRRRLRKMK 0.38
29 RRWRLRRMK 0.38
30 RRFRIKRMM 0.4
31 RRRRWRRMM 0.4
32 RRRRIKKMM 0.4
33 RRWRIKRMM 0.41
34 RRFRIRKMM 0.41
35 RRRRLRRMM 0.41
36 RRWRIRKMM 0.41
37 RQRRIKRMK 0.46
38 RQFRIRRMK 0.47
39 RQRRIRKMK 0.47
40 RQWRIRRMK 0.48
41 RRFRWKRMK 0.49
42 RRRRIKRIK 0.49
43 RRRRWKKMK 0.49
44 RRFRWRKMK 0.49
45 RRWRWKRMK 0.49
46 RRFRIRRIK 0.49
47 RRRRIRKIK 0.49
48 RRWRLKRMK 0.5
49 RRRRIRLMK 0.5
50 RRRRLKKMK 0.5
51 RRWRIRRIK 0.5
52 RRFRLRKMK 0.5
53 RRFRLKRMK 0.5
54 RQRRIRRMM 0.5
55 RRWRWRKMK 0.5
56 RRWRLRKMK 0.51
57 RRRRWKRMM 0.52
58 RRRRIRRIM 0.52
59 RRFRWRRMM 0.52
60 RRRRWRKMM 0.52
61 RRFRIKKMM 0.53
62 RRWRIKKMM 0.53
63 RRFRLRRMM 0.53
64 RRRRLKRMM 0.53
65 RRRRLRKMM 0.53
66 RRWRWRRMM 0.53
67 RRWRLRRMM 0.54
68 RQFRIKRMK 0.59
69 RQRRWRRMK 0.59
70 RQRRIKKMK 0.59
71 RQRRLRRMK 0.6
72 RQWRIRKMK 0.6
73 RQFRIRKMK 0.6
74 RQWRIKRMK 0.6
75 RRFRWKKMK 0.61
76 RRRRIKKIK 0.61
77 RRFRIKRIK 0.61
78 RRRRWRRIK 0.61
79 RRFRLKKMK 0.62
80 RRWRIKRIK 0.62
81 RRRRLRRIK 0.62
82 RQRRIKRMM 0.62
83 RRFRIRKIK 0.62
84 RRFRIRLMK 0.62
85 RRRRIKLMK 0.62
86 RRWRWKKMK 0.62
87 RRWRIRKIK 0.62
88 RQFRIRRMM 0.63
89 RQRRIRKMM 0.63
90 RRWRLKKMK 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRFRLRRMK

1.53

-15.92

-14.39
2 RRRRLRRMK

1.49

-13.92

-12.43
3 RRWRLRRMK

1.39

-13.27

-11.88
4 RRFRWRRMK

1.49

-13.31

-11.82
5 RRFRIRRMK

1.54

-13.03

-11.49
6 RRFRIRRMM

1.46

-12.87

-11.41
7 RRWRWRRMK

1.64

-13.0

-11.36
8 RRRRIKRMM

1.44

-12.67

-11.23
9 RRRRIRRMM

1.66

-12.85

-11.19
10 RRRRLRKMK

2.24

-13.0

-10.76
11 RRRRIRRIK

1.62

-12.35

-10.73
12 RRRRWRRMK

1.59

-12.3

-10.71
13 RRFRIRKMK

1.52

-11.98

-10.46
14 RRWRIRRMK

2.82

-13.27

-10.45
15 RRRRLKRMK

1.75

-12.17

-10.42
16 RRRRIRKMM

1.89

-12.14

-10.25
17 RRRRIRRMK

1.44

-11.58

-10.14
18 RRWRIRRMM

2.36

-12.46

-10.1
19 RRRRIRKMK

1.94

-11.97

-10.03
20 RRFRIKKMK

1.71

-11.24

-9.53
21 RQRRIRRMK

2.25

-11.67

-9.42
22 RRWRIKRMK

2.86

-12.26

-9.4
23 RRRRWRKMK

3.18

-12.49

-9.31
24 RRWRIRKMK

2.38

-10.81

-8.43
25 RRRRIKRMK

1.5

-9.86

-8.36
26 RRFRIKRMK

2.5

-10.55

-8.05
27 RRWRIKKMK

2.15

-9.93

-7.78
28 RRFRIKRMM

1.31

-8.96

-7.65
29 RRRRIKKMK

1.64

-9.28

-7.64
30 RRRRWKRMK

1.12

-8.05

-6.93

 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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