Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-29.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 0.278 ΔGbinding -3.282
TOTAL
 -3.004
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.372
Van der Waals -3.410 Backbone clash -0.000
Electrostatics 0.114 Helix dipole 0.000
Solvation Polar 3.543 Water bridges 0.007
Solvation Hyd -4.694 Disulfide 0.000
VdW clashes 0.071 Electrost. Kon 0.084
Entropy sc 0.644 Part.cov.bonds 0.000
Entropy mc

2.537

 ΔGstability

6.869
       

Predicted ligand sequences for model [SHO1_2VKN-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HWDFRPPRWR 0.0
2 HWDRRPPRWR 0.03
3 HWDFRPPRFR 0.04
4 HWDYRPPRWR 0.05
5 HWDRRPPRFR 0.07
6 HWDYRPPRFR 0.09
7 HWDFRPPRRR 0.09
8 DWDFRPPRWR 0.09
9 DWDRRPPRWR 0.12
10 HWDRRPPRRR 0.12
11 DWDFRPPRFR 0.13
12 HWDFRMPRWR 0.13
13 HWDYRPPRRR 0.14
14 DWDYRPPRWR 0.14
15 DWDRRPPRFR 0.16
16 HWDRRMPRWR 0.16
17 HWDFRMPRFR 0.16
18 HWDYRMPRWR 0.17
19 RWDFRPPRWR 0.18
20 DWDFRPPRRR 0.18
21 DWDYRPPRFR 0.18
22 HWDRRMPRFR 0.2
23 HWDYRMPRFR 0.21
24 HWDFRMPRRR 0.21
25 DWDRRPPRRR 0.21
26 DWDFRMPRWR 0.22
27 RWDRRPPRWR 0.22
28 RWDFRPPRFR 0.22
29 RWDYRPPRWR 0.23
30 HWDFRWPRWR 0.23
31 DWDYRPPRRR 0.23
32 DWDFRMPRFR 0.25
33 HWDRRMPRRR 0.25
34 DWDRRMPRWR 0.25
35 HWDYRMPRRR 0.26
36 HWDFRPERWR 0.26
37 RWDRRPPRFR 0.26
38 DWDYRMPRWR 0.26
39 RWDYRPPRFR 0.27
40 HWDRRWPRWR 0.27
41 RWDFRPPRRR 0.27
42 HWDFRWPRFR 0.27
43 HWDYRWPRWR 0.28
44 HWKFRPPRWR 0.28
45 DWDRRMPRFR 0.29
46 HWDRRPERWR 0.29
47 HWDRRWPRFR 0.3
48 DWDYRMPRFR 0.3
49 DWDFRMPRRR 0.3
50 HWDFRPERFR 0.3
51 HWKFRPPRFR 0.31
52 HWKRRPPRWR 0.31
53 RWDFRMPRWR 0.31
54 HWDYRPERWR 0.31
55 RWDRRPPRRR 0.31
56 HWDFRWPRRR 0.32
57 HWKYRPPRWR 0.32
58 DWDFRWPRWR 0.32
59 RWDYRPPRRR 0.32
60 HWDYRWPRFR 0.32
61 HWDRRPERFR 0.33
62 RWDRRMPRWR 0.34
63 DWDRRMPRRR 0.34
64 HWDYRPERFR 0.34
65 DWDFRPERWR 0.35
66 RWDFRMPRFR 0.35
67 HWKRRPPRFR 0.35
68 HWDFRPERRR 0.35
69 DWDYRMPRRR 0.35
70 HWKFRPPRRR 0.36
71 DWKFRPPRWR 0.36
72 HWKYRPPRFR 0.36
73 HWDRRWPRRR 0.36
74 RWDYRMPRWR 0.36
75 DWDRRWPRWR 0.36
76 DWDFRWPRFR 0.36
77 DWDYRWPRWR 0.37
78 HWDYRWPRRR 0.37
79 DWDRRPERWR 0.38
80 HWDRRPERRR 0.38
81 RWDRRMPRFR 0.38
82 HWDFRPKRWR 0.39
83 DWDFRPERFR 0.39
84 HWDFRMERWR 0.39
85 DWDRRWPRFR 0.39
86 RWDFRMPRRR 0.4
87 HWKFRMPRWR 0.4
88 HWKRRPPRRR 0.4
89 DWKRRPPRWR 0.4
90 HWDYRPERRR 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HWDYRMPRFR

2.64

-20.07

-17.43
2 DWDFRMPRWR

2.57

-19.39

-16.82
3 DWDRRPPRRR

2.28

-18.84

-16.56
4 HWDRRPPRWR

2.06

-17.88

-15.82
5 RWDFRPPRWR

2.3

-17.9

-15.6
6 DWDYRPPRFR

2.12

-17.3

-15.18
7 HWDYRPPRFR

2.24

-16.84

-14.6
8 HWDFRPPRFR

2.03

-16.27

-14.24
9 HWDRRMPRWR

1.66

-15.8

-14.14
10 DWDYRPPRWR

1.5

-15.56

-14.06
11 DWDFRPPRRR

1.91

-15.73

-13.82
12 RWDYRPPRWR

1.56

-15.2

-13.64
13 DWDRRPPRFR

1.88

-14.98

-13.1
14 HWDRRPPRFR

2.53

-15.1

-12.57
15 HWDYRPPRWR

1.61

-14.05

-12.44
16 HWDRRMPRFR

2.51

-14.83

-12.32
17 HWDFRMPRWR

2.69

-14.46

-11.77
18 RWDFRPPRFR

2.48

-14.03

-11.55
19 HWDFRMPRRR

2.01

-13.43

-11.42
20 HWDYRMPRWR

2.49

-13.8

-11.31
21 RWDRRPPRWR

1.89

-13.18

-11.29
22 DWDFRPPRWR

1.9

-12.73

-10.83
23 DWDRRPPRWR

1.37

-11.98

-10.61
24 HWDFRWPRWR

2.12

-12.67

-10.55
25 HWDFRPPRWR

1.73

-12.23

-10.5
26 HWDYRPPRRR

1.51

-11.08

-9.57
27 HWDRRPPRRR

1.66

-11.11

-9.45
28 DWDFRPPRFR

1.69

-10.9

-9.21
29 HWDFRMPRFR

1.76

-10.5

-8.74
30 HWDFRPPRRR

1.89

-9.93

-8.04

 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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