Predicted ligand sequences


ADAN-name: 1H9O2.PDB (view again the scoring matrix)

PDB name: [1H9O.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT y V P M L
position 1 2 3 4 5
poly-Ala
y
 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 4.374 ΔGbinding -12.910
TOTAL
 -8.536
Backbone Hb -4.160 Cis_bond 0.000
Sidechain Hb -4.590 Torsional clash 0.120
Van der Waals -10.660 Backbone clash 0.870
Electrostatics -4.660 Helix dipole 0.000
Solvation Polar 16.860 Water bridges -0.670
Solvation Hyd -13.050 Disulfide 0.000
VdW clashes 0.280 Electrost. Kon -1.870
Entropy sc 5.050 Part.cov.bonds 0.000
Entropy mc

4.430

 ΔGstability

17.860
       

Predicted ligand sequences for template [1H9O2.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).
 
  1H9O2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yEWMN 0.0
2 yEFMN 0.03
3 yEMMN 0.06
4 yEYMN 0.13
5 yMWMN 0.17
6 yMFMN 0.21
7 yEKMN 0.24
8 yMMMN 0.24
9 yMYMN 0.3
10 yLWMN 0.32
11 yLFMN 0.35
12 yLMMN 0.39
13 yEWMQ 0.4
14 yMKMN 0.41
15 yEFMQ 0.43
16 yLYMN 0.45
17 yEMMQ 0.46
18 yEYMQ 0.53
19 yLKMN 0.56
20 yMWMQ 0.57
21 yMFMQ 0.61
22 yEKMQ 0.64
23 yMMMQ 0.64
24 yMYMQ 0.7
25 yEWLN 0.71
26 yLWMQ 0.72
27 yEFLN 0.74
28 yLFMQ 0.76
29 yEMLN 0.77
30 yEWMY 0.77
31 yLMMQ 0.79
32 yEFMY 0.8
33 yMKMQ 0.81
34 yEMMY 0.83
35 yEYLN 0.84
36 yLYMQ 0.85
37 yMWLN 0.89
38 yEYMY 0.9
39 yMFLN 0.92
40 yMWMY 0.94
41 yEKLN 0.95
42 yMMLN 0.95
43 yLKMQ 0.96
44 yMFMY 0.97
45 yEKMY 1.0
46 yMMMY 1.0
47 yMYLN 1.01
48 yLWLN 1.04
49 yMYMY 1.07
50 yLFLN 1.07
51 yLWMY 1.09
52 yLMLN 1.1
53 yEWLQ 1.11
54 yLFMY 1.12
55 yMKLN 1.12
56 yEFLQ 1.14
57 yLMMY 1.15
58 yLYLN 1.16
59 yEMLQ 1.17
60 yMKMY 1.18
61 yLYMY 1.22
62 yEYLQ 1.24
63 yLKLN 1.27
64 yMWLQ 1.29
65 yMFLQ 1.32
66 yLKMY 1.33
67 yEKLQ 1.35
68 yMMLQ 1.35
69 yMYLQ 1.41
70 yLWLQ 1.44
71 yLFLQ 1.47
72 yEWLY 1.48
73 yLMLQ 1.5
74 yEFLY 1.51
75 yMKLQ 1.52
76 yEMLY 1.54
77 yLYLQ 1.56
78 yEYLY 1.61
79 yMWLY 1.66
80 yLKLQ 1.67
81 yMFLY 1.69
82 yEKLY 1.72
83 yMMLY 1.72
84 yMYLY 1.78
85 yLWLY 1.8
86 yLFLY 1.84
87 yLMLY 1.87
88 yMKLY 1.89
89 yLYLY 1.93
90 yLKLY 2.04
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yMFMN

4.4

-16.24

-11.84
2 yLWMN

3.99

-15.75

-11.76
3 yLKMN

4.02

-15.75

-11.73
4 yLFMN

4.43

-16.16

-11.73
5 yMKMN

4.56

-16.19

-11.63
6 yMMMN

4.46

-16.05

-11.59
7 yEMMN

4.11

-15.67

-11.56
8 yEWMQ

4.23

-15.64

-11.41
9 yLMMN

4.55

-15.94

-11.39
10 yLFMQ

4.34

-15.71

-11.37
11 yMWMN

4.82

-16.16

-11.34
12 yMFMQ

4.43

-15.73

-11.3
13 yEYMQ

4.24

-15.49

-11.25
14 yEFMQ

4.53

-15.73

-11.2
15 yMYMQ

4.51

-15.65

-11.14
16 yMMMQ

4.59

-15.71

-11.12
17 yLWMQ

3.99

-15.1

-11.11
18 yEWMN

4.56

-15.64

-11.08
19 yLYMN

4.8

-15.88

-11.08
20 yEKMQ

4.06

-15.04

-10.98
21 yMWMQ

4.75

-15.7

-10.95
22 yMYMN

5.22

-16.16

-10.94
23 yEKMN

4.47

-15.36

-10.89
24 yEYMN

4.79

-15.67

-10.88
25 yEFMN

4.42

-15.0

-10.58
26 yEMMQ

4.5

-15.05

-10.55
27 yEMLN

4.49

-14.63

-10.14
28 yEWLN

4.73

-14.75

-10.02
29 yEFLN

4.02

-13.91

-9.89
30 yEWMY

4.58

-13.36

-8.78

 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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