Predicted ligand sequences


ADAN-name: 2EZ52.PDB (view again the scoring matrix)

PDB name: [2EZ5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T G L P S Y D E A L H
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala A
G
 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 8.935 ΔGbinding 0.624
TOTAL
 9.559
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.775
Van der Waals -7.580 Backbone clash 0.630
Electrostatics 0.065 Helix dipole 0.000
Solvation Polar 5.775 Water bridges -0.010
Solvation Hyd -11.791 Disulfide 0.000
VdW clashes 6.653 Electrost. Kon -0.059
Entropy sc 1.062 Part.cov.bonds 0.000
Entropy mc

4.733

 ΔGstability

64.049
       

Predicted ligand sequences for template [2EZ52.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).
 
  2EZ52.PDB  

(data)
# Predicted Sequences Value Calculate
1 FGRPRFTHTsP 0.0
2 FGMPRFTHTsP 0.13
3 FGRPRFTHTRP 0.19
4 FGRPRFTHTDP 0.19
5 FGKPRFTHTsP 0.19
6 FGRPRFTHTsR 0.22
7 FGRPRFTHTsM 0.22
8 YGRPRFTHTsP 0.23
9 WGRPRFTHTsP 0.32
10 FGMPRFTHTDP 0.32
11 FGMPRFTHTRP 0.32
12 FGMPRFTHTsR 0.35
13 FGMPRFTHTsM 0.35
14 YGMPRFTHTsP 0.36
15 FGRPRMTHTsP 0.37
16 FGKPRFTHTRP 0.38
17 FGRFRFTHTsP 0.38
18 FGKPRFTHTDP 0.38
19 FGRPRFTHTRR 0.41
20 FGRPRFTHTRM 0.41
21 FGRPRFTHTDR 0.41
22 FGRPRFTHTDM 0.41
23 FGKPRFTHTsM 0.41
24 FGKPRFTHTsR 0.41
25 YGRPRFTHTRP 0.42
26 YGRPRFTHTDP 0.42
27 YGKPRFTHTsP 0.42
28 YGRPRFTHTsR 0.44
29 YGRPRFTHTsM 0.44
30 WGMPRFTHTsP 0.45
31 FGRyRFTHTsP 0.46
32 WGRPRFTHTRP 0.51
33 FGMPRMTHTsP 0.51
34 WGKPRFTHTsP 0.51
35 WGRPRFTHTDP 0.51
36 FGMFRFTHTsP 0.52
37 WGRPRFTHTsM 0.53
38 WGRPRFTHTsR 0.53
39 FGMPRFTHTDR 0.54
40 FGMPRFTHTDM 0.54
41 FGMPRFTHTRR 0.54
42 FGMPRFTHTRM 0.54
43 YGMPRFTHTDP 0.55
44 YGMPRFTHTRP 0.55
45 FGRPRMTHTRP 0.56
46 FGRPRMTHTDP 0.56
47 FGKPRMTHTsP 0.56
48 YGMPRFTHTsR 0.57
49 YGMPRFTHTsM 0.57
50 FGKFRFTHTsP 0.57
51 FGRFRFTHTDP 0.57
52 FGRFRFTHTRP 0.57
53 FGRPRMTHTsM 0.59
54 FGRPRMTHTsR 0.59
55 FGMyRFTHTsP 0.59
56 YGRPRMTHTsP 0.6
57 FGKPRFTHTDM 0.6
58 FGKPRFTHTDR 0.6
59 FGKPRFTHTRM 0.6
60 FGKPRFTHTRR 0.6
61 FGRFRFTHTsR 0.6
62 FGRFRFTHTsM 0.6
63 YGRFRFTHTsP 0.61
64 YGKPRFTHTDP 0.61
65 YGKPRFTHTRP 0.61
66 YGRPRFTHTRR 0.63
67 YGRPRFTHTRM 0.63
68 YGRPRFTHTDR 0.63
69 YGRPRFTHTDM 0.63
70 YGKPRFTHTsM 0.63
71 YGKPRFTHTsR 0.63
72 WGMPRFTHTDP 0.64
73 WGMPRFTHTRP 0.64
74 FGRyRFTHTDP 0.65
75 FGRyRFTHTRP 0.65
76 FGKyRFTHTsP 0.65
77 FGRyRFTHTsM 0.67
78 FGRyRFTHTsR 0.67
79 WGMPRFTHTsM 0.67
80 WGMPRFTHTsR 0.67
81 YGRyRFTHTsP 0.68
82 WGRPRMTHTsP 0.69
83 WGKPRFTHTDP 0.7
84 FGMPRMTHTDP 0.7
85 WGRFRFTHTsP 0.7
86 FGMPRMTHTRP 0.7
87 WGKPRFTHTRP 0.7
88 FGMFRFTHTRP 0.71
89 FGMFRFTHTDP 0.71
90 WGRPRFTHTRM 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FGKPRFTHTsM

6.86

-0.95

5.91
2 FGRPRFTHTDM

7.08

-0.62

6.46
3 FGKPRFTHTRP

8.65

-2.17

6.48
4 YGRPRFTHTDP

9.06

-2.1

6.96
5 FGKPRFTHTsP

8.14

-1.18

6.96
6 YGRPRFTHTsM

10.28

-2.99

7.29
7 YGRPRFTHTsP

9.08

-1.62

7.46
8 FGMPRFTHTsM

8.28

-0.76

7.52
9 FGMPRFTHTsR

8.66

-0.48

8.18
10 FGRPRFTHTsR

9.19

-0.85

8.34
11 YGRPRFTHTsR

8.87

-0.52

8.35
12 FGRPRFTHTDP

10.22

-1.87

8.35
13 FGMPRFTHTDP

8.72

-0.33

8.39
14 FGMPRFTHTsP

8.71

-0.3

8.41
15 WGMPRFTHTsP

8.66

-0.14

8.52
16 FGRPRFTHTsM

9.64

-1.12

8.52
17 FGKPRFTHTsR

8.25

0.29

8.54
18 FGRPRFTHTsP

8.81

-0.18

8.63
19 WGRPRFTHTsP

8.84

-0.15

8.69
20 YGMPRFTHTsP

8.57

0.15

8.72
21 FGKPRFTHTDP

9.1

-0.17

8.93
22 FGRFRFTHTsP

10.31

-1.34

8.97
23 FGMPRFTHTRP

9.53

-0.53

9.0
24 YGKPRFTHTsP

8.7

0.38

9.08
25 FGRPRFTHTDR

10.61

-1.47

9.14
26 YGRPRFTHTRP

10.2

-0.89

9.31
27 FGRPRMTHTsP

9.06

0.27

9.33
28 FGRPRFTHTRM

8.98

0.45

9.43
29 FGRPRFTHTRR

9.03

0.58

9.61
30 FGRPRFTHTRP

11.29

-1.13

10.16

 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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