Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QCF-8.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 8.444 ΔGbinding -1.483
TOTAL
 6.961
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.963
Van der Waals -4.857 Backbone clash 0.000
Electrostatics 0.082 Helix dipole 0.000
Solvation Polar 5.231 Water bridges -0.010
Solvation Hyd -6.210 Disulfide 0.000
VdW clashes 1.108 Electrost. Kon 0.067
Entropy sc 1.002 Part.cov.bonds 0.000
Entropy mc

3.690

 ΔGstability

53.056
       

Predicted ligand sequences for model [SHO1_1QCF-8.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_1QCF-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 HWEPIDPK 0.0
2 FWEPIDPK 0.01
3 RWEPIDPK 0.03
4 FWEEIDPK 0.09
5 HWEEIDPK 0.09
6 HWEPIDEK 0.11
7 HWEPIDPR 0.11
8 FWEPIDEK 0.12
9 RWEEIDPK 0.12
10 FWEPIDPR 0.12
11 RWEPIDEK 0.14
12 RWEPIDPR 0.14
13 HWEFIDPK 0.19
14 HWEPEDPK 0.19
15 FWEEIDPR 0.2
16 FWEEIDEK 0.2
17 FWEPEDPK 0.2
18 HWEEIDEK 0.2
19 HWEEIDPR 0.2
20 FWEFIDPK 0.2
21 HWEPIDER 0.22
22 RWEFIDPK 0.22
23 RWEPEDPK 0.22
24 FWEPIDER 0.23
25 RWEEIDPR 0.23
26 RWEEIDEK 0.23
27 RWEPIDER 0.25
28 HWEEEDPK 0.28
29 FWEEEDPK 0.28
30 HWEFIDPR 0.3
31 HWEPEDEK 0.3
32 HWEPEDPR 0.3
33 FWEPEDEK 0.31
34 FWEFIDPR 0.31
35 FWEFIDEK 0.31
36 HWEEIDER 0.31
37 FWEEIDER 0.31
38 FWEPEDPR 0.31
39 RWEEEDPK 0.31
40 HWEFIDEK 0.31
41 RWEPEDPR 0.33
42 RWEPEDEK 0.33
43 RWEFIDPR 0.33
44 RWEEIDER 0.34
45 RWEFIDEK 0.34
46 FWEPILPK 0.35
47 HWEPILPK 0.35
48 RWEPILPK 0.38
49 HWEEEDEK 0.39
50 HWEFEDPK 0.39
51 HWEEEDPR 0.39
52 FWEFEDPK 0.39
53 FWEEEDPR 0.39
54 FWEEEDEK 0.4
55 HWEPEDER 0.41
56 FWEPEDER 0.42
57 FWEFIDER 0.42
58 RWEEEDEK 0.42
59 RWEEEDPR 0.42
60 RWEFEDPK 0.42
61 HWEFIDER 0.42
62 HWEEILPK 0.43
63 FWEEILPK 0.44
64 RWEPEDER 0.44
65 RWEFIDER 0.45
66 FWEPILEK 0.46
67 HWEPILEK 0.46
68 FWEPHDPK 0.46
69 FWEPILPR 0.46
70 HWEPHDPK 0.46
71 RWEEILPK 0.46
72 HWEPILPR 0.46
73 RWEPILEK 0.49
74 RWEPILPR 0.49
75 RWEPHDPK 0.49
76 HWEPIDHK 0.49
77 FWEPIDHK 0.49
78 FWEFEDPR 0.5
79 HWEEEDER 0.5
80 FWEFEDEK 0.5
81 HWEFEDPR 0.5
82 HWEFEDEK 0.5
83 FWEEEDER 0.51
84 RWEPIDHK 0.52
85 RWEEEDER 0.53
86 RWEFEDEK 0.53
87 RWEFEDPR 0.53
88 HWEEHDPK 0.54
89 HWEEILPR 0.54
90 HWEFILPK 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWEEIDPR

8.16

-8.7

-0.54
2 FWEPIDEK

4.78

-5.2

-0.42
3 FWEPIDPK

5.86

-4.97

0.89
4 FWEEEDPK

5.83

-4.82

1.01
5 RWEPEDPK

5.47

-4.38

1.09
6 FWEPEDPK

5.45

-3.58

1.87
7 HWEPEDPK

5.18

-3.09

2.09
8 RWEEIDPK

9.7

-6.53

3.17
9 RWEPIDPK

10.05

-6.62

3.43
10 FWEPIDPR

10.19

-6.75

3.44
11 HWEEEDPK

5.78

-2.29

3.49
12 RWEPIDEK

10.11

-6.48

3.63
13 RWEEIDEK

10.12

-6.39

3.73
14 RWEPIDER

9.47

-5.65

3.82
15 RWEPIDPR

9.59

-5.75

3.84
16 FWEPIDER

10.04

-6.17

3.87
17 FWEEIDPR

10.13

-5.97

4.16
18 RWEFIDPK

9.78

-5.59

4.19
19 FWEEIDEK

9.44

-4.9

4.54
20 FWEFIDPK

9.94

-5.23

4.71
21 HWEPIDER

10.69

-5.84

4.85
22 HWEEIDEK

9.39

-4.42

4.97
23 HWEEIDPR

9.69

-4.7

4.99
24 FWEEIDPK

10.2

-5.18

5.02
25 HWEPIDEK

9.39

-4.22

5.17
26 HWEPIDPK

10.0

-4.6

5.4
27 HWEFIDPR

9.76

-4.23

5.53
28 HWEPIDPR

10.4

-4.69

5.71
29 HWEFIDPK

10.16

-4.06

6.1
30 HWEEIDPK

9.95

-3.2

6.75

 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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