Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1GCQ-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 2.807 ΔGbinding -1.924
TOTAL
 0.883
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.280
Van der Waals -2.733 Backbone clash 0.000
Electrostatics 0.073 Helix dipole 0.000
Solvation Polar 3.270 Water bridges -0.022
Solvation Hyd -3.807 Disulfide 0.000
VdW clashes 1.810 Electrost. Kon 0.070
Entropy sc 0.617 Part.cov.bonds 0.000
Entropy mc

1.069

 ΔGstability

25.934
       

Predicted ligand sequences for model [HSE1_1GCQ-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).
 
  HSE1_1GCQ-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 KHPVNPWM 0.0
2 KHPENPWM 0.01
3 WHPVNPWM 0.02
4 KHPVNEWM 0.03
5 WHPENPWM 0.03
6 KHPENEWM 0.04
7 KHPFNPWM 0.05
8 WHPVNEWM 0.05
9 WHPENEWM 0.06
10 WHPFNPWM 0.07
11 KHPFNEWM 0.08
12 KHRVNPWM 0.08
13 KHRENPWM 0.09
14 WHRVNPWM 0.09
15 WHPFNEWM 0.1
16 KHHVNPWM 0.1
17 WHRENPWM 0.11
18 KHRVNEWM 0.11
19 KHHENPWM 0.11
20 WHHVNPWM 0.11
21 WHRVNEWM 0.12
22 KHHVNEWM 0.12
23 KHRENEWM 0.12
24 WHHENPWM 0.13
25 KHRFNPWM 0.13
26 WHRENEWM 0.14
27 WHRFNPWM 0.14
28 KHHENEWM 0.14
29 WHHVNEWM 0.14
30 KHHFNPWM 0.15
31 WHHENEWM 0.16
32 WHHFNPWM 0.16
33 KHRFNEWM 0.16
34 WHRFNEWM 0.17
35 KHHFNEWM 0.18
36 KHPVSPWM 0.19
37 WHHFNEWM 0.19
38 KHPESPWM 0.2
39 WHPVSPWM 0.21
40 KHPVNKWM 0.21
41 WHPESPWM 0.22
42 KHPVSEWM 0.22
43 WHPVNKWM 0.22
44 KHPENKWM 0.22
45 KHPESEWM 0.23
46 WHPENKWM 0.24
47 KHPFSPWM 0.24
48 WHPVSEWM 0.24
49 WHPESEWM 0.25
50 KHRVSPWM 0.26
51 WHPFSPWM 0.26
52 KHPFNKWM 0.26
53 KHPFSEWM 0.27
54 KHRVNKWM 0.28
55 WHRVSPWM 0.28
56 WHPFNKWM 0.28
57 KHHVSPWM 0.28
58 KHRESPWM 0.28
59 WHPFSEWM 0.29
60 KHRVSEWM 0.29
61 WHRESPWM 0.29
62 KHHESPWM 0.3
63 KHHVNKWM 0.3
64 WHHVSPWM 0.3
65 KHRENKWM 0.3
66 WHRVNKWM 0.3
67 KHPVQPWM 0.31
68 WHHESPWM 0.31
69 WHRENKWM 0.31
70 WHRVSEWM 0.31
71 KHRESEWM 0.31
72 KHHVSEWM 0.31
73 KHHENKWM 0.32
74 WHRESEWM 0.32
75 KHPEQPWM 0.32
76 KHRFSPWM 0.32
77 WHHVNKWM 0.32
78 WHHVSEWM 0.33
79 KHHESEWM 0.33
80 WHRFSPWM 0.33
81 KHHFSPWM 0.33
82 WHHENKWM 0.33
83 WHPVQPWM 0.33
84 KHRFNKWM 0.33
85 WHPEQPWM 0.34
86 KHRFSEWM 0.34
87 WHHESEWM 0.34
88 IHPVNPWM 0.34
89 KHPVQEWM 0.34
90 WHHFSPWM 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WHPVNPWM

1.93

-5.68

-3.75
2 KHRENPWM

2.15

-5.82

-3.67
3 KHRENEWM

2.44

-5.77

-3.33
4 WHPFNPWM

2.32

-5.59

-3.27
5 KHHENPWM

2.29

-5.45

-3.16
6 WHRENPWM

2.22

-5.36

-3.14
7 WHPVNEWM

2.55

-5.67

-3.12
8 WHHENPWM

2.14

-5.13

-2.99
9 KHPENPWM

2.21

-5.15

-2.94
10 WHHVNEWM

2.44

-5.27

-2.83
11 KHRVNEWM

3.04

-5.86

-2.82
12 WHPFNEWM

3.5

-6.3

-2.8
13 KHPFNEWM

2.48

-5.2

-2.72
14 WHRVNEWM

2.83

-5.53

-2.7
15 KHHVNPWM

2.76

-5.45

-2.69
16 WHHVNPWM

2.61

-5.26

-2.65
17 KHHENEWM

2.32

-4.97

-2.65
18 WHRENEWM

2.37

-4.99

-2.62
19 WHPENPWM

1.83

-4.44

-2.61
20 KHPVNPWM

2.47

-5.0

-2.53
21 KHPVNEWM

2.15

-4.67

-2.52
22 KHPENEWM

2.39

-4.87

-2.48
23 KHHVNEWM

2.26

-4.71

-2.45
24 KHPFNPWM

2.82

-4.83

-2.01
25 KHRFNPWM

3.23

-5.06

-1.83
26 KHRVNPWM

3.67

-5.33

-1.66
27 WHRVNPWM

3.87

-5.47

-1.6
28 WHPENEWM

2.72

-4.27

-1.55
29 KHHFNPWM

3.31

-4.8

-1.49
30 WHRFNPWM

3.46

-2.9

0.56

 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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