Predicted ligand sequences


ADAN-name: 1A0N2.PDB (view again the scoring matrix)

PDB name: [1A0N.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P P R P L P V A P G S S K
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
A
A
 A A A
A
A
A
A
G
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 5.012 ΔGbinding -4.830
TOTAL
 0.182
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.050
Van der Waals -7.070 Backbone clash 1.650
Electrostatics -0.450 Helix dipole 0.000
Solvation Polar 5.230 Water bridges -0.500
Solvation Hyd -10.080 Disulfide 0.000
VdW clashes 3.410 Electrost. Kon -0.590
Entropy sc 2.790 Part.cov.bonds 0.000
Entropy mc

2.380

 ΔGstability

56.720
       

Predicted ligand sequences for template [1A0N2.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).
 
  1A0N2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHFGMPEMRGEWR 0.0
2 RHFGMPEMRGEWH 0.01
3 RHFGMPEMRGFWR 0.03
4 RHFGMPEMRGEWA 0.03
5 RRFGMPEMRGEWR 0.03
6 RHFGMPEMRGDWR 0.03
7 RHFGMPEMRGFWH 0.04
8 RRFGMPEMRGEWH 0.04
9 RHFGMPEMRGDWH 0.04
10 HHFGMPEMRGEWR 0.05
11 RHFGMPEMRGFWA 0.06
12 RRFGMPEMRGFWR 0.06
13 RRFGMPEMRGEWA 0.06
14 HHFGMPEMRGEWH 0.06
15 RRFGMPEMRGDWR 0.06
16 RGFGMPEMRGEWR 0.06
17 RHFGMPEMRGDWA 0.06
18 RRFGMPEMRGFWH 0.07
19 RRFGMPEMRGDWH 0.07
20 RGFGMPEMRGEWH 0.07
21 HHFGMPEMRGDWR 0.08
22 RHFGMPDMRGEWR 0.08
23 HRFGMPEMRGEWR 0.08
24 HHFGMPEMRGEWA 0.08
25 HHFGMPEMRGFWR 0.08
26 HHFGMPEMRGDWH 0.09
27 RHFGMPDMRGEWH 0.09
28 HHFGMPEMRGFWH 0.09
29 RRFGMPEMRGFWA 0.09
30 HRFGMPEMRGEWH 0.09
31 RGFGMPEMRGDWR 0.09
32 RGFGMPEMRGFWR 0.09
33 RRFGMPEMRGDWA 0.09
34 RGFGMPEMRGEWA 0.09
35 RGFGMPEMRGDWH 0.1
36 RGFGMPEMRGFWH 0.1
37 RHFGMPGMRGEWR 0.1
38 RHFGMPDMRGEWA 0.11
39 HGFGMPEMRGEWR 0.11
40 RHFGMPDMRGFWR 0.11
41 HRFGMPEMRGEWA 0.11
42 RRFGMPDMRGEWR 0.11
43 RHFGMPEMRGEHR 0.11
44 HHFGMPEMRGDWA 0.11
45 HRFGMPEMRGDWR 0.11
46 RHFGMPDMRGDWR 0.11
47 HHFGMPEMRGFWA 0.11
48 HRFGMPEMRGFWR 0.11
49 RHFGMPGMRGEWH 0.11
50 HRFGMPEMRGDWH 0.12
51 HGFGMPEMRGEWH 0.12
52 RHFGMPDMRGFWH 0.12
53 RHFGMPEMRGERR 0.12
54 RGFGMPEMRGDWA 0.12
55 RRFGMPDMRGEWH 0.12
56 RHFGMPEMRGEHH 0.12
57 RHFGMPDMRGDWH 0.12
58 RGFGMPEMRGFWA 0.12
59 HRFGMPEMRGFWH 0.12
60 RHFGMPGMRGDWR 0.13
61 RRFGMPGMRGEWR 0.13
62 RHFGMPEMRGERH 0.13
63 RHFGMPGMRGFWR 0.13
64 HHFGMPDMRGEWR 0.13
65 RHFGMPGMRGEWA 0.13
66 HGFGMPEMRGDWR 0.14
67 RHFGMPGMRGDWH 0.14
68 RRFGMPGMRGEWH 0.14
69 RRFGMPDMRGDWR 0.14
70 HGFGMPEMRGEWA 0.14
71 RHFGMPDMRGFWA 0.14
72 HHFGMPDMRGEWH 0.14
73 HGFGMPEMRGFWR 0.14
74 RHFGMPEMRGFHR 0.14
75 RRFGMPDMRGEWA 0.14
76 RHFGMPEMRGDHR 0.14
77 RHFGMPGMRGFWH 0.14
78 RHFGMPEMRGEHA 0.14
79 RRFGMPDMRGFWR 0.14
80 HRFGMPEMRGDWA 0.14
81 RHFGMPDMRGDWA 0.14
82 RRFGMPEMRGEHR 0.14
83 RGFGMPDMRGEWR 0.14
84 HRFGMPEMRGFWA 0.14
85 HGFGMPEMRGDWH 0.15
86 RRFGMPDMRGDWH 0.15
87 HGFGMPEMRGFWH 0.15
88 RRFGMPEMRGERR 0.15
89 RHFGMPEMRGFHH 0.15
90 RHFGMPEMRGDRR 0.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RHFGMPEMRGFWA

4.03

-10.84

-6.81
2 RRFGMPEMRGEWR

4.58

-11.34

-6.76
3 RGFGMPEMRGEWR

4.24

-10.99

-6.75
4 RHFGMPEMRGEWA

3.87

-10.59

-6.72
5 RHFGMPEMRGFWR

4.52

-11.16

-6.64
6 RRFGMPEMRGFWH

4.43

-11.07

-6.64
7 RRFGMPEMRGEWA

4.42

-10.94

-6.52
8 RHFGMPEMRGEWH

4.46

-10.96

-6.5
9 RHFGMPEMRGEWR

4.52

-11.01

-6.49
10 RHFGMPEMRGDWH

4.44

-10.93

-6.49
11 RHFGMPEMRGDWR

4.42

-10.89

-6.47
12 RRFGMPEMRGFWA

4.54

-11.0

-6.46
13 HHFGMPEMRGEWH

4.42

-10.85

-6.43
14 RHFGMPEMRGDWA

4.4

-10.82

-6.42
15 RHFGMPEMRGFWH

4.61

-11.02

-6.41
16 HHFGMPEMRGEWA

4.49

-10.86

-6.37
17 RHFGMPDMRGEWR

4.7

-10.98

-6.28
18 RRFGMPEMRGFWR

4.92

-11.2

-6.28
19 HHFGMPEMRGDWR

4.3

-10.56

-6.26
20 RRFGMPEMRGDWR

4.72

-10.94

-6.22
21 RHFGMPDMRGEWH

4.49

-10.65

-6.16
22 RRFGMPEMRGDWH

4.41

-10.46

-6.05
23 HRFGMPEMRGEWH

4.36

-10.41

-6.05
24 HHFGMPEMRGFWR

4.55

-10.56

-6.01
25 RGFGMPEMRGEWH

5.29

-11.24

-5.95
26 HRFGMPEMRGEWR

4.52

-10.36

-5.84
27 RRFGMPEMRGEWH

4.89

-10.68

-5.79
28 HHFGMPEMRGFWH

4.64

-10.4

-5.76
29 HHFGMPEMRGDWH

4.49

-10.21

-5.72
30 HHFGMPEMRGEWR

4.65

-10.17

-5.52

 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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