Predicted ligand sequences


ADAN-name: 1EG42.PDB (view again the scoring matrix)

PDB name: [1EG4.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N M T P Y R S P P P Y V P
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
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    

(Help)

Intraclash 6.017 ΔGbinding -13.153
TOTAL
 -7.136
Backbone Hb -3.688 Cis_bond 0.000
Sidechain Hb -5.463 Torsional clash 0.791
Van der Waals -10.323 Backbone clash 0.309
Electrostatics -0.115 Helix dipole 0.001
Solvation Polar 11.123 Water bridges -0.196
Solvation Hyd -13.186 Disulfide 0.000
VdW clashes 0.507 Electrost. Kon -0.099
Entropy sc 3.292 Part.cov.bonds 0.000
Entropy mc

4.202

 ΔGstability

-54.584
       

Predicted ligand sequences for template [1EG42.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).
 
  1EG42.PDB  

(data)
# Predicted Sequences Value Calculate
1 yGNQyRDPERYYY 0.0
2 ypNQyRDPERYYY 0.02
3 yGNQyRPPERYYY 0.03
4 yGNQyRDPKRYYY 0.03
5 YGNQyRDPERYYY 0.04
6 FGNQyRDPERYYY 0.04
7 ypNQyRDPKRYYY 0.05
8 ypNQyRPPERYYY 0.05
9 YpNQyRDPERYYY 0.06
10 yGNQyRDPTRYYY 0.06
11 yGHQyRDPERYYY 0.06
12 FpNQyRDPERYYY 0.06
13 yGNQyRPPKRYYY 0.06
14 FGNQyRPPERYYY 0.07
15 ysNQyRDPERYYY 0.07
16 FGNQyRDPKRYYY 0.07
17 yGNQyRDPERYRY 0.07
18 YGNQyRPPERYYY 0.07
19 YGNQyRDPKRYYY 0.08
20 ypNQyRDPTRYYY 0.08
21 ypNQyRPPKRYYY 0.08
22 ypHQyRDPERYYY 0.08
23 YpNQyRPPERYYY 0.09
24 FpNQyRDPKRYYY 0.09
25 FpNQyRPPERYYY 0.09
26 ypNQyRDPERYRY 0.09
27 yGHQyRPPERYYY 0.09
28 yGNQyRPPTRYYY 0.09
29 yGKQyRDPERYYY 0.09
30 YpNQyRDPKRYYY 0.09
31 yGHQyRDPKRYYY 0.09
32 ysNQyRPPERYYY 0.1
33 YGNQyRPPKRYYY 0.1
34 yGNQyRDPKRYRY 0.1
35 ysNQyRDPKRYYY 0.1
36 FGNQyRPPKRYYY 0.1
37 YGHQyRDPERYYY 0.1
38 FGHQyRDPERYYY 0.1
39 yGNQyRsPERYYY 0.1
40 yGNQyRPPERYRY 0.1
41 YGNQyRDPERYRY 0.11
42 ypHQyRDPKRYYY 0.11
43 ypNQyRPPTRYYY 0.11
44 FGNQyRDPERYRY 0.11
45 FsNQyRDPERYYY 0.11
46 YsNQyRDPERYYY 0.11
47 ypKQyRDPERYYY 0.11
48 YGNQyRDPTRYYY 0.11
49 ypHQyRPPERYYY 0.11
50 FGNQyRDPTRYYY 0.11
51 yGNQyRDPERYYM 0.11
52 yGHQyRDPTRYYY 0.12
53 FpNQyRPPKRYYY 0.12
54 ypNQyRPPERYRY 0.12
55 ypNQyRDPKRYRY 0.12
56 YpNQyRPPKRYYY 0.12
57 FpHQyRDPERYYY 0.12
58 yGHQyRPPKRYYY 0.12
59 yGKQyRDPKRYYY 0.12
60 FpNQyRDPTRYYY 0.12
61 yGKQyRPPERYYY 0.12
62 YpNQyRDPTRYYY 0.12
63 YpHQyRDPERYYY 0.12
64 ypNQyRsPERYYY 0.12
65 yGNQyRDPTRYRY 0.13
66 ysNQyRPPKRYYY 0.13
67 FpNQyRDPERYRY 0.13
68 yGHQyRDPERYRY 0.13
69 ysNQyRDPTRYYY 0.13
70 YGHQyRPPERYYY 0.13
71 yGNQyRPPKRYRY 0.13
72 FGHQyRDPKRYYY 0.13
73 ysHQyRDPERYYY 0.13
74 FGKQyRDPERYYY 0.13
75 YpNQyRDPERYRY 0.13
76 FGNQyRPPTRYYY 0.13
77 yGNQyRsPKRYYY 0.13
78 FGHQyRPPERYYY 0.13
79 ypNQyRDPERYYM 0.13
80 YGKQyRDPERYYY 0.13
81 YGNQyRsPERYYY 0.14
82 yGNQyRPPERYYM 0.14
83 yGNQyRDPKRYYM 0.14
84 YsNQyRDPKRYYY 0.14
85 YGNQyRDPKRYRY 0.14
86 YGNQyRPPTRYYY 0.14
87 ypKQyRDPKRYYY 0.14
88 FsNQyRDPKRYYY 0.14
89 FGNQyRDPKRYRY 0.14
90 YGHQyRDPKRYYY 0.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yGKQyRDPERYYY

4.59

-17.59

-13.0
2 yGNQyRDPERYYY

3.58

-16.54

-12.96
3 ysNQyRDPERYYY

4.0

-16.76

-12.76
4 yGHQyRPPERYYY

4.38

-16.39

-12.01
5 yGNQyRDPKRYYY

5.49

-17.43

-11.94
6 yGNQyRPPTRYYY

4.89

-16.55

-11.66
7 ypNQyRDPKRYYY

5.24

-16.83

-11.59
8 FpNQyRPPERYYY

4.42

-15.49

-11.07
9 yGNQyRDPERYRY

4.58

-15.59

-11.01
10 YGNQyRDPERYYY

4.54

-15.39

-10.85
11 YpNQyRPPERYYY

4.56

-15.39

-10.83
12 yGHQyRDPERYYY

5.16

-15.98

-10.82
13 ypNQyRDPTRYYY

3.68

-14.41

-10.73
14 yGNQyRPPKRYYY

3.87

-14.46

-10.59
15 YGNQyRDPKRYYY

4.01

-14.5

-10.49
16 ypNQyRDPERYRY

5.63

-15.96

-10.33
17 FpNQyRDPKRYYY

4.78

-14.84

-10.06
18 FGNQyRDPKRYYY

3.17

-13.18

-10.01
19 YGNQyRPPERYYY

5.36

-15.26

-9.9
20 ypNQyRPPERYYY

5.29

-14.92

-9.63
21 FGNQyRPPERYYY

5.51

-15.13

-9.62
22 FGNQyRDPERYYY

5.1

-14.7

-9.6
23 ypNQyRDPERYYY

4.87

-14.42

-9.55
24 YpNQyRDPKRYYY

5.35

-14.7

-9.35
25 FpNQyRDPERYYY

5.35

-14.4

-9.05
26 yGNQyRPPERYYY

5.24

-14.27

-9.03
27 yGNQyRDPTRYYY

5.12

-14.13

-9.01
28 ypNQyRPPKRYYY

6.85

-15.3

-8.45
29 ypHQyRDPERYYY

5.35

-13.7

-8.35
30 YpNQyRDPERYYY

4.76

-13.09

-8.33

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER