Predicted ligand sequences


ADAN-name: 2A0T2.PDB (view again the scoring matrix)

PDB name: [2A0T.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N D P D p L E I Y S
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 3.598 ΔGbinding 1.844
TOTAL
 5.442
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -3.550 Torsional clash 1.593
Van der Waals -6.192 Backbone clash 0.712
Electrostatics -0.947 Helix dipole 0.000
Solvation Polar 8.718 Water bridges -0.142
Solvation Hyd -7.302 Disulfide 0.000
VdW clashes 4.325 Electrost. Kon -1.186
Entropy sc 2.034 Part.cov.bonds 0.000
Entropy mc

4.493

 ΔGstability

172.090
       

Predicted ligand sequences for template [2A0T2.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).
 
  2A0T2.PDB  

(data)
# Predicted Sequences Value Calculate
1 pVEHECMRWR 0.0
2 pVsHECMRWR 0.01
3 pVEHECNRWR 0.02
4 pVsHECNRWR 0.03
5 pAEHECMRWR 0.03
6 sVEHECMRWR 0.03
7 pyEHECMRWR 0.03
8 pVEHEDMRWR 0.04
9 pyEHECNRWR 0.04
10 pAsHECMRWR 0.04
11 pysHECMRWR 0.04
12 sVsHECMRWR 0.04
13 pVsHEDMRWR 0.05
14 sVEHECNRWR 0.05
15 pAEHECNRWR 0.05
16 EVEHECMRWR 0.06
17 sVsHECNRWR 0.06
18 pAsHECNRWR 0.06
19 pysHECNRWR 0.06
20 sAEHECMRWR 0.06
21 syEHECMRWR 0.06
22 pVEHECMWWR 0.06
23 pVEHEDNRWR 0.06
24 pyEHEDMRWR 0.07
25 pAEHEDMRWR 0.07
26 sysHECMRWR 0.07
27 sVEHEDMRWR 0.07
28 EVsHECMRWR 0.07
29 sAsHECMRWR 0.07
30 pVsHEDNRWR 0.07
31 syEHECNRWR 0.07
32 EVEHECNRWR 0.07
33 sAEHECNRWR 0.08
34 pysHEDMRWR 0.08
35 EyEHECMRWR 0.08
36 pVsHECMWWR 0.08
37 pVEHECNWWR 0.08
38 sVsHEDMRWR 0.08
39 pAsHEDMRWR 0.08
40 pVEMECMRWR 0.08
41 pAEHECMWWR 0.09
42 sysHECNRWR 0.09
43 pVsMECMRWR 0.09
44 pyEHEDNRWR 0.09
45 sVEHEDNRWR 0.09
46 EVsHECNRWR 0.09
47 pVsHECNWWR 0.09
48 pAEHEDNRWR 0.09
49 EAEHECMRWR 0.09
50 pVEMECNRWR 0.09
51 sVEHECMWWR 0.09
52 pyEHECMWWR 0.09
53 sAsHECNRWR 0.09
54 sAEHEDMRWR 0.1
55 pVEHEDMWWR 0.1
56 syEHEDMRWR 0.1
57 pysHEDNRWR 0.1
58 EyEHECNRWR 0.1
59 EVEHEDMRWR 0.1
60 EysHECMRWR 0.1
61 EAsHECMRWR 0.1
62 pAsHEDNRWR 0.1
63 sVsHEDNRWR 0.1
64 pysHECMWWR 0.1
65 EAEHECNRWR 0.1
66 pyEMECMRWR 0.1
67 sVsHECMWWR 0.11
68 pAsHECMWWR 0.11
69 EysHECNRWR 0.11
70 sVEHECNWWR 0.11
71 pVsMECNRWR 0.11
72 pAEMECMRWR 0.11
73 sysHEDMRWR 0.11
74 sVEMECMRWR 0.11
75 pAEHECNWWR 0.11
76 EVsHEDMRWR 0.11
77 pyEHECNWWR 0.11
78 sAsHEDMRWR 0.11
79 sVEMECNRWR 0.12
80 sAEHEDNRWR 0.12
81 sVsHECNWWR 0.12
82 sVsMECMRWR 0.12
83 pVsHEDMWWR 0.12
84 EVEHEDNRWR 0.12
85 EyEHEDMRWR 0.12
86 EVEHECMWWR 0.12
87 pAsHECNWWR 0.12
88 pAsMECMRWR 0.12
89 EAsHECNRWR 0.12
90 syEHECMWWR 0.12
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 pVEHEDNRWR

3.17

-5.83

-2.66
2 pAEHECNRWR

2.43

-5.08

-2.65
3 syEHECMRWR

2.79

-5.42

-2.63
4 pVEHECNRWR

2.38

-4.86

-2.48
5 pyEHECMRWR

2.5

-4.91

-2.41
6 pVEHECMWWR

2.51

-4.9

-2.39
7 sVEHEDMRWR

2.05

-4.43

-2.38
8 pyEHEDMRWR

2.12

-4.46

-2.34
9 pVEHEDMRWR

2.23

-4.46

-2.23
10 pVsHECMRWR

2.81

-4.57

-1.76
11 pAEHEDMRWR

2.51

-4.18

-1.67
12 sAEHECMRWR

2.86

-4.46

-1.6
13 pVEHECMRWR

2.53

-4.06

-1.53
14 pyEHECNRWR

2.41

-3.88

-1.47
15 sysHECMRWR

3.03

-4.37

-1.34
16 pysHECMRWR

2.98

-4.32

-1.34
17 sAsHECMRWR

3.13

-4.47

-1.34
18 sVEHECNRWR

3.16

-4.44

-1.28
19 EVEHECMRWR

3.27

-4.41

-1.14
20 sVEHECMRWR

2.69

-3.71

-1.02
21 EVsHECMRWR

3.14

-4.15

-1.01
22 sVsHECMRWR

2.97

-3.7

-0.73
23 pVsHEDMRWR

2.97

-3.66

-0.69
24 pAEHECMRWR

2.34

-2.88

-0.54
25 pVsHEDNRWR

2.84

-2.86

-0.02
26 sVsHECNRWR

3.31

-2.93

0.38
27 pysHECNRWR

2.72

-2.26

0.46
28 pAsHECMRWR

3.6

-2.0

1.6
29 pAsHECNRWR

2.87

-1.22

1.65
30 pVsHECNRWR

2.93

-1.07

1.86

 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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