Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-25.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 0.941 ΔGbinding 3.745
TOTAL
 4.686
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.514
Van der Waals -4.406 Backbone clash 0.121
Electrostatics -0.084 Helix dipole 0.000
Solvation Polar 4.649 Water bridges -0.005
Solvation Hyd -6.275 Disulfide 0.000
VdW clashes 7.552 Electrost. Kon -0.117
Entropy sc 0.731 Part.cov.bonds 0.000
Entropy mc

2.961

 ΔGstability

76.175
       

Predicted ligand sequences for model [SDC25_1OV32-25.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).
 
  SDC25_1OV32-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRWPLEPDF 0.0
2 ERWPLEPDF 0.01
3 DRWPLEPPF 0.02
4 ERWPLEPPF 0.03
5 DRWPWEPDF 0.19
6 ERWPWEPDF 0.2
7 DRWPWEPPF 0.21
8 ERWPWEPPF 0.22
9 DRWPLEPDM 0.25
10 ERWPLEPDM 0.26
11 DRWPLEPPM 0.27
12 ERWPLEPPM 0.27
13 DRWELEPDF 0.3
14 DRWPLEFDF 0.3
15 ERWELEPDF 0.31
16 ERWPLEFDF 0.31
17 DRWELEPPF 0.32
18 DRWPLEFPF 0.32
19 ERWELEPPF 0.32
20 ERWPLEFPF 0.33
21 KRWPLEPDF 0.33
22 DRWPLEDDF 0.33
23 ERWPLEDDF 0.34
24 KRWPLEPPF 0.35
25 DRWPLEDPF 0.35
26 ERWPLEDPF 0.36
27 DRWPLEPDR 0.37
28 DRWPMEPDF 0.37
29 ERWPMEPDF 0.38
30 ERWPLEPDR 0.38
31 DRWPLEPPR 0.38
32 DRWPMEPPF 0.39
33 ERWPLEPPR 0.39
34 ERWPMEPPF 0.4
35 DRWFLEPDF 0.43
36 DRWPWEPDM 0.44
37 ERWFLEPDF 0.44
38 ERWPWEPDM 0.45
39 DRWPWEPPM 0.45
40 DRWFLEPPF 0.45
41 ERWPWEPPM 0.46
42 ERWFLEPPF 0.46
43 DRWEWEPDF 0.49
44 DRWPWEFDF 0.49
45 ERWPWEFDF 0.5
46 ERWEWEPDF 0.5
47 DRWEWEPPF 0.5
48 ERWEWEPPF 0.51
49 DRWPWEFPF 0.51
50 KRWPWEPDF 0.52
51 ERWPWEFPF 0.52
52 DRWPWEDDF 0.52
53 ERWPWEDDF 0.53
54 KRWPWEPPF 0.54
55 DRWPWEDPF 0.54
56 DRWPWEPDR 0.55
57 ERWPWEDPF 0.55
58 ERWELEPDM 0.55
59 DRWELEPDM 0.55
60 DRWPLEFDM 0.55
61 ERWPWEPDR 0.56
62 DRWELEPPM 0.56
63 ERWPLEFDM 0.56
64 ERWPLEFPM 0.57
65 DRWPWEPPR 0.57
66 DRWPLEFPM 0.57
67 ERWELEPPM 0.57
68 KRWPLEPDM 0.58
69 DRWPLEDDM 0.58
70 ERWPWEPPR 0.58
71 ERWPLEDDM 0.59
72 DRWELEFDF 0.6
73 KRWPLEPPM 0.6
74 DRWPLEDPM 0.6
75 ERWPLEDPM 0.61
76 ERWELEFDF 0.61
77 DRWELEFPF 0.62
78 ERWELEFPF 0.62
79 DRWPMEPDM 0.62
80 DRWFWEPDF 0.62
81 DRWELEDDF 0.63
82 KRWPLEFDF 0.63
83 ERWPMEPDM 0.63
84 KRWELEPDF 0.63
85 ERWFWEPDF 0.63
86 DRWFWEPPF 0.64
87 DRWPMEPPM 0.64
88 ERWELEDDF 0.64
89 ERWPMEPPM 0.65
90 ERWFWEPPF 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ERWPLEFPF

3.99

-8.43

-4.44
2 ERWPLEPDF

4.99

-9.36

-4.37
3 DRWPLEDPF

3.84

-8.03

-4.19
4 DRWPLEPDM

5.52

-9.57

-4.05
5 ERWPLEPPF

3.8

-7.8

-4.0
6 ERWPLEDDF

4.1

-7.86

-3.76
7 DRWPLEPDF

5.91

-9.14

-3.23
8 ERWPLEPDR

5.53

-8.76

-3.23
9 ERWELEPDF

5.34

-8.54

-3.2
10 DRWELEPDF

4.97

-8.12

-3.15
11 DRWPLEFDF

4.7

-7.82

-3.12
12 KRWPLEPPF

5.08

-8.09

-3.01
13 DRWPLEDDF

5.53

-8.46

-2.93
14 ERWPLEFDF

4.26

-7.1

-2.84
15 DRWPLEPPF

3.34

-6.17

-2.83
16 DRWPLEPDR

4.21

-7.01

-2.8
17 ERWELEPPF

4.32

-6.99

-2.67
18 ERWPMEPDF

5.6

-8.19

-2.59
19 ERWPLEPPM

5.54

-8.07

-2.53
20 ERWPLEPDM

5.59

-8.1

-2.51
21 DRWPLEFPF

4.32

-6.79

-2.47
22 DRWPWEPDF

5.44

-7.78

-2.34
23 KRWPLEPDF

4.82

-7.15

-2.33
24 DRWPMEPDF

4.42

-6.75

-2.33
25 ERWPLEDPF

4.66

-6.82

-2.16
26 DRWPLEPPM

4.82

-6.75

-1.93
27 DRWELEPPF

4.47

-6.36

-1.89
28 ERWPWEPPF

3.12

-4.76

-1.64
29 DRWPWEPPF

3.07

-4.67

-1.6
30 ERWPWEPDF

4.0

-4.96

-0.96

 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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