Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-7.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
 G
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 1.092 ΔGbinding -1.465
TOTAL
 -0.373
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.178
Van der Waals -3.241 Backbone clash 0.040
Electrostatics -0.024 Helix dipole 0.000
Solvation Polar 3.807 Water bridges 0.000
Solvation Hyd -4.511 Disulfide 0.000
VdW clashes 0.175 Electrost. Kon -0.029
Entropy sc 0.435 Part.cov.bonds 0.000
Entropy mc

3.021

 ΔGstability

75.846
       

Predicted ligand sequences for model [SDC25_1OV32-7.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_1OV32-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MKDIPKWD 0.0
2 MKDEPKWD 0.23
3 MKDWPKWD 0.24
4 MLDIPKWD 0.35
5 MKDIPYWD 0.43
6 MKPIPKWD 0.44
7 MKDFPKWD 0.46
8 MKDIRKWD 0.49
9 MKDIPKFD 0.51
10 MMDIPKWD 0.53
11 MKDIPKQD 0.54
12 MLDEPKWD 0.58
13 MLDWPKWD 0.59
14 MKDEPYWD 0.66
15 MKPEPKWD 0.67
16 MKDWPYWD 0.68
17 MKPWPKWD 0.68
18 MKDERKWD 0.71
19 MKDWRKWD 0.73
20 MKDEPKFD 0.74
21 MMDEPKWD 0.75
22 MKDWPKFD 0.76
23 MKDEPKQD 0.77
24 MMDWPKWD 0.77
25 MKDWPKQD 0.78
26 MLDIPYWD 0.78
27 MLPIPKWD 0.79
28 MLDFPKWD 0.8
29 MLDIRKWD 0.83
30 MLDIPKFD 0.86
31 MKPIPYWD 0.87
32 MKPFPKWD 0.89
33 MKDFPYWD 0.89
34 MLDIPKQD 0.89
35 MKDIRYWD 0.92
36 MKPIRKWD 0.93
37 MKDFRKWD 0.94
38 MKDIPYFD 0.95
39 MKPIPKFD 0.95
40 MMPIPKWD 0.96
41 MMDIPYWD 0.96
42 MKDFPKFD 0.97
43 MKDIPYQD 0.97
44 MKPIPKQD 0.98
45 MMDFPKWD 0.98
46 MKDFPKQD 0.99
47 MKDIRKFD 1.0
48 MLPEPKWD 1.01
49 MLDEPYWD 1.01
50 MMDIRKWD 1.01
51 MKDIRKQD 1.02
52 MLDWPYWD 1.02
53 MLPWPKWD 1.03
54 MMDIPKFD 1.04
55 MLDERKWD 1.06
56 MMDIPKQD 1.06
57 MLDWRKWD 1.08
58 MLDEPKFD 1.09
59 MKPEPYWD 1.1
60 MKPWPYWD 1.11
61 MLDEPKQD 1.11
62 MLDWPKFD 1.11
63 MLDWPKQD 1.13
64 MKPERKWD 1.15
65 MKDERYWD 1.15
66 MKDWRYWD 1.16
67 MKDEPYFD 1.17
68 MKPWRKWD 1.17
69 MKPEPKFD 1.18
70 MMPEPKWD 1.19
71 MKDWPYFD 1.19
72 MMDEPYWD 1.19
73 MMDWPYWD 1.2
74 MKDEPYQD 1.2
75 MKPEPKQD 1.2
76 MKPWPKFD 1.2
77 MMPWPKWD 1.21
78 MKPWPKQD 1.22
79 MLPIPYWD 1.22
80 MKDWPYQD 1.22
81 MKDERKFD 1.23
82 MLDFPYWD 1.24
83 MLPFPKWD 1.24
84 MMDERKWD 1.24
85 MKDERKQD 1.25
86 MKDWRKFD 1.25
87 MMDWRKWD 1.26
88 MLPIRKWD 1.27
89 MKDWRKQD 1.27
90 MMDEPKFD 1.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MKPIPKWD

3.49

-9.79

-6.3
2 MKDIPKWD

3.63

-9.92

-6.29
3 MLPIPKWD

3.76

-9.88

-6.12
4 MKDWPYWD

3.82

-9.74

-5.92
5 MLDFPKWD

2.91

-8.69

-5.78
6 MLDIPYWD

4.13

-9.87

-5.74
7 MLDIPKWD

4.12

-9.81

-5.69
8 MKDEPKWD

4.01

-9.57

-5.56
9 MKDFPKWD

3.55

-9.01

-5.46
10 MKDIPKFD

3.98

-9.4

-5.42
11 MKDWPKFD

3.1

-8.48

-5.38
12 MLDWPKWD

3.56

-8.9

-5.34
13 MLDIPKFD

3.03

-8.35

-5.32
14 MKDIPKQD

3.51

-8.7

-5.19
15 MKDIPYWD

4.24

-9.43

-5.19
16 MMDIPKWD

4.16

-9.35

-5.19
17 MKDWPKWD

3.2

-8.24

-5.04
18 MLDEPKWD

4.01

-8.92

-4.91
19 MKPEPKWD

4.04

-8.85

-4.81
20 MKDEPKQD

2.86

-7.57

-4.71
21 MKPWPKWD

4.56

-9.24

-4.68
22 MLDIRKWD

4.11

-8.63

-4.52
23 MMDEPKWD

4.18

-8.7

-4.52
24 MKDIRKWD

4.02

-8.52

-4.5
25 MKDEPKFD

3.53

-8.01

-4.48
26 MMDWPKWD

3.55

-8.02

-4.47
27 MKDEPYWD

4.15

-8.51

-4.36
28 MKDWRKWD

4.24

-8.03

-3.79
29 MKDWPKQD

3.82

-6.97

-3.15
30 MKDERKWD

4.21

-7.1

-2.89

 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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