Predicted ligand sequences


ADAN-name: 2H8H3.PDB (view again the scoring matrix)

PDB name: [2H8H.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V C P T S K P Q T Q G L A K D A
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
poly-Ala
A
A
A
A
A
 A
A
A
A
A
G
 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 2.865 ΔGbinding -9.270
TOTAL
 -6.405
Backbone Hb -1.830 Cis_bond 0.000
Sidechain Hb -5.140 Torsional clash 0.060
Van der Waals -8.850 Backbone clash 0.480
Electrostatics -0.290 Helix dipole 0.000
Solvation Polar 8.700 Water bridges -0.900
Solvation Hyd -11.620 Disulfide 0.000
VdW clashes 0.970 Electrost. Kon -0.240
Entropy sc 4.970 Part.cov.bonds 0.000
Entropy mc

4.890

 ΔGstability

17.590
       

Predicted ligand sequences for template [2H8H3.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).
 
  2H8H3.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWDEDMPETYGWMFRW 0.0
2 EWNEDMPETYGWMFRW 0.01
3 EDDEDMPETYGWMFRW 0.01
4 EEDEDMPETYGWMFRW 0.01
5 EWDEDMPETYGWMMRW 0.01
6 EEDEDMPETYGWMMRW 0.02
7 EDDEDMPETYGWMMRW 0.02
8 EENEDMPETYGWMFRW 0.02
9 EWAEDMPETYGWMFRW 0.02
10 EWNEDMPETYGWMMRW 0.02
11 EDNEDMPETYGWMFRW 0.02
12 EWDEGMPETYGWMFRW 0.03
13 EEAEDMPETYGWMFRW 0.03
14 EDAEDMPETYGWMFRW 0.03
15 EWAEDMPETYGWMMRW 0.03
16 EDNEDMPETYGWMMRW 0.03
17 EENEDMPETYGWMMRW 0.03
18 EWDEGMPETYGWMMRW 0.04
19 EWNEGMPETYGWMFRW 0.04
20 EEAEDMPETYGWMMRW 0.04
21 EDAEDMPETYGWMMRW 0.04
22 EDDEGMPETYGWMFRW 0.04
23 EEDEGMPETYGWMFRW 0.04
24 EDNEGMPETYGWMFRW 0.05
25 EWAEGMPETYGWMFRW 0.05
26 DWDEDMPETYGWMFRW 0.05
27 EWNEGMPETYGWMMRW 0.05
28 EDDEGMPETYGWMMRW 0.05
29 EENEGMPETYGWMFRW 0.05
30 EEDEGMPETYGWMMRW 0.05
31 EWDELMPETYGWMFRW 0.05
32 EDNEGMPETYGWMMRW 0.06
33 EDAEGMPETYGWMFRW 0.06
34 DEDEDMPETYGWMFRW 0.06
35 DWNEDMPETYGWMFRW 0.06
36 DDDEDMPETYGWMFRW 0.06
37 EWAEGMPETYGWMMRW 0.06
38 EEDELMPETYGWMFRW 0.06
39 EENEGMPETYGWMMRW 0.06
40 EDDELMPETYGWMFRW 0.06
41 EEAEGMPETYGWMFRW 0.06
42 DWDEDMPETYGWMMRW 0.06
43 EWNELMPETYGWMFRW 0.06
44 DWNEDMPETYGWMMRW 0.07
45 EWDEDMPEMYGWMFRW 0.07
46 EEAEGMPETYGWMMRW 0.07
47 EDNELMPETYGWMFRW 0.07
48 DENEDMPETYGWMFRW 0.07
49 EWDELMPETYGWMMRW 0.07
50 EWAELMPETYGWMFRW 0.07
51 DWAEDMPETYGWMFRW 0.07
52 DDNEDMPETYGWMFRW 0.07
53 EDAEGMPETYGWMMRW 0.07
54 DEDEDMPETYGWMMRW 0.07
55 EENELMPETYGWMFRW 0.07
56 DDDEDMPETYGWMMRW 0.07
57 EEDELMPETYGWMMRW 0.08
58 EEDEDMPEMYGWMFRW 0.08
59 DDNEDMPETYGWMMRW 0.08
60 DDAEDMPETYGWMFRW 0.08
61 EWNEDMPEMYGWMFRW 0.08
62 DEAEDMPETYGWMFRW 0.08
63 EWDEDMPEMYGWMMRW 0.08
64 EWNELMPETYGWMMRW 0.08
65 DWAEDMPETYGWMMRW 0.08
66 DENEDMPETYGWMMRW 0.08
67 EDAELMPETYGWMFRW 0.08
68 EDDELMPETYGWMMRW 0.08
69 EWDEDMPETYGWMFRF 0.08
70 EEAELMPETYGWMFRW 0.08
71 EDDEDMPEMYGWMFRW 0.08
72 DWDEGMPETYGWMFRW 0.08
73 EWAELMPETYGWMMRW 0.09
74 EDNEDMPEMYGWMFRW 0.09
75 DEAEDMPETYGWMMRW 0.09
76 EENELMPETYGWMMRW 0.09
77 EWAEDMPEMYGWMFRW 0.09
78 DDAEDMPETYGWMMRW 0.09
79 DWNEGMPETYGWMFRW 0.09
80 EWNEDMPETYGWMFRF 0.09
81 EDNELMPETYGWMMRW 0.09
82 EEDEDMPETYGWMFRF 0.09
83 PWDEDMPETYGWMFRW 0.09
84 DWDEGMPETYGWMMRW 0.09
85 EDDEDMPETYGWMFRF 0.09
86 EDDEDMPEMYGWMMRW 0.09
87 EWDEDMPETYGWMPRW 0.09
88 EEDEDMPEMYGWMMRW 0.09
89 EENEDMPEMYGWMFRW 0.09
90 EWNEDMPEMYGWMMRW 0.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EEAEDMPETYGWMFRW

2.9

-18.48

-15.58
2 EEDEDMPETYGWMFRW

2.92

-18.35

-15.43
3 EWNEGMPETYGWMFRW

3.38

-18.71

-15.33
4 EDDEGMPETYGWMFRW

2.71

-17.99

-15.28
5 EDAEDMPETYGWMFRW

2.95

-18.07

-15.12
6 EWAEDMPETYGWMFRW

2.97

-18.06

-15.09
7 EDNEDMPETYGWMFRW

2.98

-18.03

-15.05
8 EDNEGMPETYGWMFRW

2.9

-17.7

-14.8
9 EDDEDMPETYGWMFRW

3.09

-17.85

-14.76
10 EEDEGMPETYGWMFRW

2.93

-17.42

-14.49
11 EWDEGMPETYGWMFRW

2.74

-17.12

-14.38
12 EWNEDMPETYGWMFRW

2.77

-17.1

-14.33
13 EEAEDMPETYGWMMRW

2.66

-16.83

-14.17
14 EENEDMPETYGWMFRW

2.77

-16.76

-13.99
15 DWDEDMPETYGWMFRW

2.74

-16.63

-13.89
16 EENEGMPETYGWMFRW

2.89

-16.7

-13.81
17 EWAEDMPETYGWMMRW

2.94

-16.69

-13.75
18 EWNEGMPETYGWMMRW

3.07

-16.81

-13.74
19 EDDEDMPETYGWMMRW

2.8

-16.5

-13.7
20 EEDEGMPETYGWMMRW

3.38

-17.04

-13.66
21 EDNEDMPETYGWMMRW

2.67

-16.31

-13.64
22 EEDEDMPETYGWMMRW

2.66

-16.18

-13.52
23 EDDEGMPETYGWMMRW

3.06

-16.4

-13.34
24 EWAEGMPETYGWMFRW

3.45

-16.73

-13.28
25 EWDEDMPETYGWMFRW

3.08

-16.32

-13.24
26 EWDEDMPETYGWMMRW

2.41

-15.64

-13.23
27 EWNEDMPETYGWMMRW

2.56

-15.73

-13.17
28 EWDEGMPETYGWMMRW

2.72

-15.86

-13.14
29 EDAEDMPETYGWMMRW

2.8

-15.85

-13.05
30 EENEDMPETYGWMMRW

2.83

-15.88

-13.05

 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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