Predicted ligand sequences


ADAN-name: 1A0R2.PDB (view again the scoring matrix)

PDB name: [1A0R.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T L E R M L V S K C C E E F R D Y V E E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
A
 A A A
A
 A
A
A
 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 3.867 ΔGbinding -37.486
TOTAL
 -33.619
Backbone Hb -3.650 Cis_bond 0.000
Sidechain Hb -6.975 Torsional clash 1.103
Van der Waals -21.140 Backbone clash 1.094
Electrostatics -5.168 Helix dipole -0.096
Solvation Polar 18.596 Water bridges -0.116
Solvation Hyd -31.240 Disulfide 0.000
VdW clashes 1.175 Electrost. Kon -1.305
Entropy sc 8.913 Part.cov.bonds 0.000
Entropy mc

2.415

 ΔGstability

60.592
       

Predicted ligand sequences for template [1A0R2.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).
 
  1A0R2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFWMFRRNySQFyFLEWVMD 0.0
2 RFWMFRRNySQFyFLEWVMp 0.0
3 HFWMFRRNySQFyFLEWVMp 0.0
4 HFWMFRRNySQFyFLEWVMD 0.0
5 KFWMFRRNySQFyFLEWVMD 0.01
6 KFWMFRRNySQFyFLEWVMp 0.01
7 RFWMFWRNySQFyFLEWVMD 0.03
8 RFWMFWRNySQFyFLEWVMp 0.03
9 RFWMFRRNySQFyFLDWVMp 0.03
10 RFWMFRRNySQFyFLDWVMD 0.03
11 RFWMFRRNySQFyFLEWVMs 0.03
12 HFWMFRRNySQFyFLEWVMs 0.03
13 KFWMFRRNySQFyFLEWVMs 0.03
14 KFWMFWRNySQFyFLEWVMD 0.03
15 HFWMFRRNySQFyFLDWVMD 0.03
16 HFWMFRRNySQFyFLDWVMp 0.03
17 HFWMFWRNySQFyFLEWVMp 0.03
18 HFWMFWRNySQFyFLEWVMD 0.03
19 KFWMFWRNySQFyFLEWVMp 0.04
20 KFWMFRRNySQFyFLDWVMp 0.04
21 KFWMFRRNySQFyFLDWVMD 0.04
22 RFWMFRRNySQFyFLTWVMp 0.04
23 RFWMFRRNySQFyFLTWVMD 0.04
24 HFWMFRRNySQFyFLTWVMp 0.04
25 HFWMFRRNySQFyFLTWVMD 0.04
26 RFWMFWRNySQFyFLEWVMs 0.05
27 KFWMFRRNySQFyFLTWVMp 0.05
28 KFWMFRRNySQFyFLTWVMD 0.05
29 HFWMFWRNySQFyFLEWVMs 0.05
30 RFWMFRRNySQFyFLEWIMD 0.06
31 RFWMFRRNySQFyFLEWIMp 0.06
32 RFWMFRRNySQFyFLDWVMs 0.06
33 KFWMFWRNySQFyFLDWVMD 0.06
34 RFWMWRRNySQFyFLEWVMD 0.06
35 RFWMWRRNySQFyFLEWVMp 0.06
36 RFWMFRRNySAFyFLEWVMD 0.06
37 RFWMFRRNySCFyFLEWVMD 0.06
38 HFWMFRRNySQFyFLTWVMs 0.06
39 HFWMWRRNySQFyFLEWVMD 0.06
40 HFWMWRRNySQFyFLEWVMp 0.06
41 KFWMFWRNySQFyFLEWVMs 0.06
42 RFWMFWRNySQFyFLDWVMD 0.06
43 RFWMFWRNySQFyFLDWVMp 0.06
44 KFWMFRRNySCFyFLEWVMD 0.06
45 HFWMFRRNySQFyFLEWIMp 0.06
46 RFWMFRRNySQFyFLTWVMs 0.06
47 HFWMFWRNySQFyFLDWVMD 0.06
48 HFWMFWRNySQFyFLDWVMp 0.06
49 HFWMFRRNySQFyFLEWIMD 0.06
50 RFWMFRRNySCFyFLEWVMp 0.06
51 HFWMFRRNySQFyFLDWVMs 0.06
52 KFWMFRRNySQFyFLDWVMs 0.06
53 HFWMFRRNySCFyFLEWVMp 0.06
54 HFWMFRRNySCFyFLEWVMD 0.06
55 HFWMFRRNySAFyFLEWVMD 0.06
56 HFWMFWRNySQFyFLTWVMp 0.07
57 HFWMFWRNySQFyFLTWVMD 0.07
58 KFWMFWRNySQFyFLDWVMp 0.07
59 RFWMFWRNySQFyFLTWVMp 0.07
60 RFWMFWRNySQFyFLTWVMD 0.07
61 RFWMFRRNySAFyFLEWVMp 0.07
62 KFWMWRRNySQFyFLEWVMD 0.07
63 KFWMFRRNySQFyFLTWVMs 0.07
64 KFWMFRRNySQFyFLEWIMD 0.07
65 KFWMFRRNySQFyFLEWIMp 0.07
66 KFWMFRRNySCFyFLEWVMp 0.07
67 KFWMFRRNySAFyFLEWVMD 0.07
68 KFWMFRRNySAFyFLEWVMp 0.07
69 KFWMFWRNySQFyFLTWVMD 0.07
70 HFWMFRRNySAFyFLEWVMp 0.07
71 KFWMWRRNySQFyFLEWVMp 0.07
72 HFWMWWRNySQFyFLEWVMD 0.08
73 RFWMWRRNySQFyFLEWVMs 0.08
74 HFWMFWRNySCFyFLEWVMD 0.08
75 RFWMFRRNySCFyFLEWVMs 0.08
76 RFWMFWRNySCFyFLEWVMD 0.08
77 HFWMWRRNySQFyFLEWVMs 0.08
78 RFWMFWRNySQFyFLDWVMs 0.08
79 KFWMFWRNySQFyFLTWVMp 0.08
80 HFWMFRRNySCFyFLEWVMs 0.08
81 HFWMFWRNySQFyFLDWVMs 0.08
82 RFWMWWRNySQFyFLEWVMD 0.08
83 HFWMFWRNySQFyFLTWVMs 0.09
84 RFWMFRRNySQFyFLEWIMs 0.09
85 HFWMWWRNySQFyFLEWVMp 0.09
86 KFWMWWRNySQFyFLEWVMp 0.09
87 RFWMFRRNySAFyFLDWVMD 0.09
88 RFWMFWRNySQFyFLTWVMs 0.09
89 KFWMFWRNySQFyFLEWIMD 0.09
90 HFWMFWRNySQFyFLEWIMD 0.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HFWMFRRNySQFyFLTWVMD

3.73

-43.04

-39.31
2 RFWMFWRNySQFyFLEWVMs

2.91

-42.05

-39.14
3 KFWMFWRNySQFyFLEWVMp

3.37

-42.34

-38.97
4 HFWMFRRNySQFyFLTWVMp

3.02

-41.63

-38.61
5 HFWMFWRNySQFyFLEWVMp

3.57

-41.57

-38.0
6 RFWMFRRNySQFyFLTWVMp

3.4

-41.4

-38.0
7 HFWMFRRNySQFyFLDWVMD

3.09

-41.05

-37.96
8 HFWMFRRNySQFyFLDWVMp

3.16

-41.08

-37.92
9 RFWMFWRNySQFyFLEWVMD

3.0

-40.71

-37.71
10 KFWMFRRNySQFyFLDWVMp

3.57

-41.18

-37.61
11 RFWMFWRNySQFyFLEWVMp

3.34

-40.79

-37.45
12 HFWMFWRNySQFyFLEWVMD

3.3

-40.33

-37.03
13 KFWMFWRNySQFyFLEWVMD

4.31

-41.12

-36.81
14 RFWMFRRNySQFyFLEWVMs

3.97

-40.65

-36.68
15 KFWMFRRNySQFyFLDWVMD

3.58

-40.09

-36.51
16 HFWMFRRNySQFyFLEWVMD

3.6

-39.98

-36.38
17 RFWMFRRNySQFyFLDWVMp

5.4

-41.04

-35.64
18 KFWMFRRNySQFyFLTWVMp

3.36

-38.96

-35.6
19 HFWMFWRNySQFyFLEWVMs

3.04

-38.44

-35.4
20 RFWMFRRNySQFyFLEWVMD

3.59

-38.78

-35.19
21 HFWMFRRNySQFyFLEWVMs

4.62

-39.6

-34.98
22 KFWMFRRNySQFyFLTWVMD

4.34

-39.12

-34.78
23 HFWMFRRNySQFyFLEWVMp

3.24

-37.7

-34.46
24 RFWMFRRNySQFyFLEWVMp

3.81

-37.51

-33.7
25 RFWMFRRNySQFyFLTWVMD

4.27

-35.94

-31.67
26 KFWMFRRNySQFyFLEWVMs

5.31

-36.89

-31.58
27 KFWMFRRNySQFyFLEWVMD

4.62

-34.83

-30.21
28 RFWMFRRNySQFyFLDWVMD

5.12

-35.14

-30.02
29 KFWMFRRNySQFyFLEWVMp

5.99

-29.94

-23.95
30 RFWMFRRNySQFyFLEWIMD

9.06

-31.34

-22.28

 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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