Predicted ligand sequences


ADAN-name: 1AZG2.PDB (view again the scoring matrix)

PDB name: [1AZG.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P P R P L P V A P G S S K T
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14
poly-Ala
A
A
 A
A
 A
A
A
A
A
G
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 8.351 ΔGbinding -6.220
TOTAL
 2.131
Backbone Hb -0.050 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.080
Van der Waals -6.350 Backbone clash 1.270
Electrostatics -0.760 Helix dipole 0.000
Solvation Polar 4.570 Water bridges -0.320
Solvation Hyd -9.160 Disulfide 0.000
VdW clashes 1.180 Electrost. Kon -0.910
Entropy sc 3.190 Part.cov.bonds 0.000
Entropy mc

2.320

 ΔGstability

70.770
       

Predicted ligand sequences for template [1AZG2.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).
 
  1AZG2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRMGMPRMPKEGKR 0.0
2 RRMGMPRMPKDGKR 0.0
3 RRMGMPRMPKCGKR 0.01
4 RRMGMPRMPHCGKR 0.01
5 RRMGMPRMPGDGKR 0.01
6 RRMGMPRMPHEGKR 0.01
7 RRMGMPRMPGEGKR 0.01
8 RRMGMPRMPHDGKR 0.01
9 RRMGMPRMPHEGMR 0.02
10 RRMGMPRMPKDGHR 0.02
11 RRMGMPRMPKDGMR 0.02
12 RRMGMPRMPGDGMR 0.02
13 RRMGMPRMPHDGMR 0.02
14 RRMGMPRMPKEGHR 0.02
15 RRMGMPRMPGEGMR 0.02
16 RRMGMPRMPGCGKR 0.02
17 RRMGMPRMPGDGHR 0.02
18 RRMGMPRMPHEGHR 0.02
19 RRMGMPRMPGEGHR 0.02
20 RRMGMPRMPHDGHR 0.02
21 RRMGMPRMPKEGMR 0.02
22 RRMGMPRMPGCGMR 0.03
23 RRMGMPRMPKCGMR 0.03
24 RRMGMPRMPHCGMR 0.03
25 RRMGMPRMPGCGHR 0.03
26 RRMGMPRMPKCGHR 0.03
27 RRMGMPRMPHCGHR 0.03
28 RRMGMPRMFGDGKR 0.04
29 RRMGMPPMPKDGKR 0.04
30 RRMGMPPMPHEGKR 0.04
31 RRMGMPRMKKDGKR 0.04
32 RRMGMPPMPKEGKR 0.04
33 RRMGMPRMFGEGKR 0.04
34 RRMGMPRMPKEGKH 0.04
35 RRMGMPRMPKEGKK 0.04
36 RRMGMPRMPHEGKK 0.04
37 RRMGMPRMPHEGKH 0.04
38 RRMGMPRMFHDGKR 0.04
39 RRMGMPPMPHDGKR 0.04
40 RRMGMPRMKKEGKR 0.04
41 RRMGMPRMPHDGKH 0.04
42 RRMGMPRMPHDGKK 0.04
43 RRMGMPRMFKEGKR 0.04
44 RRMGMPRMFKDGKR 0.04
45 RRMGMPRMPKDGKK 0.04
46 RRMGMPRMPKDGKH 0.04
47 RRMGMPRMFHEGKR 0.04
48 RRMGMPRMPKCGKK 0.05
49 RRMGMPRMPKCGKH 0.05
50 RRMGMPRMFKCGKR 0.05
51 RRMGMPRMKHDGKR 0.05
52 RRMGMPRMKGEGKR 0.05
53 RRMGMPRMKHEGKR 0.05
54 RRMGMPRMPGDGKK 0.05
55 RRMGMPRMPGDGKH 0.05
56 RRMGMPRMFHCGKR 0.05
57 RRMGMPRMKKCGKR 0.05
58 RRMGMPPMPKCGKR 0.05
59 RRMGMPPMPGDGKR 0.05
60 RRMGMPRMKGDGKR 0.05
61 RRMGMPRMPGEGKH 0.05
62 RRMGMPRMPGEGKK 0.05
63 RRMGMPPMPGEGKR 0.05
64 RRMGMPRMFKDGMR 0.06
65 RRMGMPPMPKEGHR 0.06
66 RRMGMPRMPHEGMH 0.06
67 RRMGMPRMPHEGMK 0.06
68 RRMGMPRMPHCGKH 0.06
69 RRMGMPRMPHCGKK 0.06
70 RRMGMPPMPHDGHR 0.06
71 RRMGMPRMFHEGMR 0.06
72 RRMGMPRMPKDGHK 0.06
73 RRMGMPRMPKDGHH 0.06
74 RRMGMPRMKHDGHR 0.06
75 RRMGMPPMPHEGHR 0.06
76 RRMGMPRMPKEEKR 0.06
77 RRMGMPPMPGEGMR 0.06
78 RRMGMPRMFKDGHR 0.06
79 RRMGMPRMFHDGHR 0.06
80 RRMGMPRMPGDGMH 0.06
81 RRMGMPRMPGDGMK 0.06
82 RRMGMPPMPHDGMR 0.06
83 RRMGMPRMFKEGMR 0.06
84 RRMGMPRMKGCGKR 0.06
85 RRMGMPRMPHDGMH 0.06
86 RRMGMPRMPKDGMH 0.06
87 RRMGMPRMPKDGMK 0.06
88 RRMGMPPMPHEGMR 0.06
89 RRMGMPRMFGDGMR 0.06
90 RRMGMPRMKKDGMR 0.06
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRMGMPPMPHEGKR

3.67

-10.12

-6.45
2 RRMGMPRMPGEGKR

3.88

-9.73

-5.85
3 RRMGMPRMPKEGHR

4.39

-10.18

-5.79
4 RRMGMPRMPHDGKR

4.06

-9.84

-5.78
5 RRMGMPRMPGCGHR

4.01

-9.79

-5.78
6 RRMGMPRMPKEGMR

3.83

-9.57

-5.74
7 RRMGMPRMPKDGKR

4.19

-9.86

-5.67
8 RRMGMPRMPKDGMR

3.96

-9.62

-5.66
9 RRMGMPRMPKCGHR

3.99

-9.61

-5.62
10 RRMGMPRMPGCGKR

3.89

-9.51

-5.62
11 RRMGMPRMPGCGMR

3.9

-9.43

-5.53
12 RRMGMPPMPKDGKR

4.13

-9.64

-5.51
13 RRMGMPRMPGDGKR

3.9

-9.41

-5.51
14 RRMGMPRMPHCGKR

4.12

-9.6

-5.48
15 RRMGMPRMPGDGMR

4.29

-9.64

-5.35
16 RRMGMPRMPHDGMR

4.05

-9.33

-5.28
17 RRMGMPRMPKDGHR

4.07

-9.35

-5.28
18 RRMGMPRMPGEGHR

4.49

-9.72

-5.23
19 RRMGMPRMPKEGKR

4.02

-9.2

-5.18
20 RRMGMPRMPHDGHR

4.02

-9.18

-5.16
21 RRMGMPRMPHEGKR

4.21

-9.33

-5.12
22 RRMGMPRMPKCGKR

3.97

-9.09

-5.12
23 RRMGMPRMPHCGMR

4.12

-9.19

-5.07
24 RRMGMPRMPHCGHR

4.07

-9.12

-5.05
25 RRMGMPRMPHEGMR

4.0

-9.04

-5.04
26 RRMGMPRMPHEGHR

4.2

-9.21

-5.01
27 RRMGMPRMPGDGHR

4.45

-9.44

-4.99
28 RRMGMPRMPKCGMR

4.43

-9.39

-4.96
29 RRMGMPRMPGEGMR

4.32

-9.17

-4.85
30 RRMGMPRMFGDGKR

3.96

-8.76

-4.8

 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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