Predicted ligand sequences


ADAN-name: 2ERZ2.PDB (view again the scoring matrix)

PDB name: [2ERZ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
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 G
A
A
G
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 7.658 ΔGbinding -27.311
TOTAL
 -19.653
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -8.312 Torsional clash 2.270
Van der Waals -18.008 Backbone clash 1.161
Electrostatics -11.554 Helix dipole 0.059
Solvation Polar 26.553 Water bridges -1.088
Solvation Hyd -22.230 Disulfide 0.000
VdW clashes 1.467 Electrost. Kon -4.544
Entropy sc 7.153 Part.cov.bonds 0.000
Entropy mc

5.748

 ΔGstability

2.175
       

Predicted ligand sequences for template [2ERZ2.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).
 
  2ERZ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWFsMFRRMRWMRRRRKIFL 0.0
2 yWFsMFRRMRWMRRRRKIFL 0.01
3 DWFpMFRRMRWMRRRRKIFL 0.01
4 DWFRMFRRMRWMRRRRKIFL 0.02
5 pWFsMFRRMRWMRRRRKIFL 0.02
6 pWFpMFRRMRWMRRRRKIFL 0.03
7 yWFpMFRRMRWMRRRRKIFL 0.03
8 yWFRMFRRMRWMRRRRKIFL 0.04
9 DWFsMFRVMRWMRRRRKIFL 0.04
10 pWFRMFRRMRWMRRRRKIFL 0.04
11 DWFsMFRHMRWMRRRRKIFL 0.05
12 yWFsMFRVMRWMRRRRKIFL 0.05
13 DWFpMFRVMRWMRRRRKIFL 0.05
14 yWFpMFRVMRWMRRRRKIFL 0.06
15 pWFsMFRVMRWMRRRRKIFL 0.06
16 DWFpMFRHMRWMRRRRKIFL 0.06
17 yWFsMFRHMRWMRRRRKIFL 0.06
18 DWFRMFRVMRWMRRRRKIFL 0.06
19 pWFsMFRHMRWMRRRRKIFL 0.07
20 yWFpMFRHMRWMRRRRKIFL 0.07
21 DWFRMFRHMRWMRRRRKIFL 0.07
22 pWFpMFRVMRWMRRRRKIFL 0.07
23 yWFRMFRVMRWMRRRRKIFL 0.08
24 pWFRMFRVMRWMRRRRKIFL 0.08
25 yWFRMFRHMRWMRRRRKIFL 0.08
26 pWFpMFRHMRWMRRRRKIFL 0.08
27 pWFRMFRHMRWMRRRRKIFL 0.09
28 DWFsMFRRMRWMRRRRKIFR 0.17
29 DWFsMFRRMRWMRRRRKIFM 0.17
30 DWFpMFRRMRWMRRRRKIFR 0.18
31 DWFpMFRRMRWMRRRRKIFM 0.18
32 yWFsMFRRMRWMRRRRKIFM 0.19
33 yWFsMFRRMRWMRRRRKIFR 0.19
34 DWFsMFRRMRWMRRRRKFFL 0.19
35 DWFRMFRRMRWMRRRRKIFR 0.19
36 pWFsMFRRMRWMRRRRKIFM 0.19
37 pWFsMFRRMRWMRRRRKIFR 0.19
38 DWFpMFRRMRWMRRRRKFFL 0.2
39 DWFRMFRRMRWMRRRRKIFM 0.2
40 pWFpMFRRMRWMRRRRKIFR 0.2
41 yWFpMFRRMRWMRRRRKIFM 0.2
42 yWFpMFRRMRWMRRRRKIFR 0.2
43 pWFsMFRRMRWMRRRRKFFL 0.21
44 yWFRMFRRMRWMRRRRKIFR 0.21
45 yWFRMFRRMRWMRRRRKIFM 0.21
46 DWFRMFRRMRWMRRRRKFFL 0.21
47 yWFsMFRRMRWMRRRRKFFL 0.21
48 DWFsMFRVMRWMRRRRKIFR 0.21
49 DWFsMFRVMRWMRRRRKIFM 0.21
50 pWFpMFRRMRWMRRRRKIFM 0.21
51 DWFsMFRHMRWMRRRRKIFM 0.22
52 yWFpMFRRMRWMRRRRKFFL 0.22
53 pWFpMFRRMRWMRRRRKFFL 0.22
54 DWFpMFRVMRWMRRRRKIFM 0.22
55 DWFpMFRVMRWMRRRRKIFR 0.22
56 yWFsMFRVMRWMRRRRKIFR 0.22
57 DWFsMFRHMRWMRRRRKIFR 0.22
58 pWFRMFRRMRWMRRRRKIFR 0.22
59 pWFRMFRRMRWMRRRRKIFM 0.22
60 yWFsMFRVMRWMRRRRKIFM 0.23
61 DWFsMFRVMRWMRRRRKFFL 0.23
62 pWFsMFRVMRWMRRRRKIFM 0.23
63 pWFsMFRVMRWMRRRRKIFR 0.23
64 DWFpMFRHMRWMRRRRKIFR 0.23
65 DWFpMFRHMRWMRRRRKIFM 0.23
66 yWFRMFRRMRWMRRRRKFFL 0.23
67 DWFRMFRVMRWMRRRRKIFR 0.23
68 yWFsMFRHMRWMRRRRKIFM 0.23
69 yWFsMFRHMRWMRRRRKIFR 0.23
70 DWFRMFRVMRWMRRRRKIFM 0.23
71 yWFpMFRVMRWMRRRRKIFM 0.24
72 yWFpMFRVMRWMRRRRKIFR 0.24
73 pWFsMFRHMRWMRRRRKIFR 0.24
74 pWFsMFRHMRWMRRRRKIFM 0.24
75 DWFRMFRHMRWMRRRRKIFM 0.24
76 DWFRMFRHMRWMRRRRKIFR 0.24
77 yWFpMFRHMRWMRRRRKIFM 0.24
78 pWFpMFRVMRWMRRRRKIFR 0.24
79 DWMsMFRRMRWMRRRRKIFL 0.24
80 DWFsMFRHMRWMRRRRKFFL 0.24
81 yWFsMFRVMRWMRRRRKFFL 0.24
82 DWFpMFRVMRWMRRRRKFFL 0.24
83 yWFpMFRHMRWMRRRRKIFR 0.24
84 pWFRMFRRMRWMRRRRKFFL 0.24
85 DWMpMFRRMRWMRRRRKIFL 0.25
86 yWMsMFRRMRWMRRRRKIFL 0.25
87 yWFRMFRVMRWMRRRRKIFM 0.25
88 yWFRMFRVMRWMRRRRKIFR 0.25
89 pWFpMFRVMRWMRRRRKIFM 0.25
90 DWFpMFRHMRWMRRRRKFFL 0.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DWFpMFRRMRWMRRRRKIFL

8.07

-42.99

-34.92
2 yWFsMFRHMRWMRRRRKIFL

8.55

-43.23

-34.68
3 DWFsMFRRMRWMRRRRKIFR

7.98

-42.41

-34.43
4 DWFRMFRVMRWMRRRRKIFL

7.96

-41.63

-33.67
5 yWFRMFRVMRWMRRRRKIFL

9.39

-42.97

-33.58
6 yWFpMFRHMRWMRRRRKIFL

7.97

-41.26

-33.29
7 DWFsMFRVMRWMRRRRKIFL

7.53

-40.56

-33.03
8 DWFpMFRRMRWMRRRRKIFR

7.76

-40.46

-32.7
9 pWFpMFRRMRWMRRRRKIFL

8.6

-41.15

-32.55
10 yWFRMFRRMRWMRRRRKIFL

8.43

-40.98

-32.55
11 DWFRMFRHMRWMRRRRKIFL

7.82

-40.36

-32.54
12 yWFsMFRRMRWMRRRRKIFL

7.78

-40.26

-32.48
13 pWFsMFRVMRWMRRRRKIFL

7.78

-40.25

-32.47
14 DWFRMFRRMRWMRRRRKIFL

7.95

-40.35

-32.4
15 yWFsMFRVMRWMRRRRKIFL

7.86

-40.25

-32.39
16 pWFsMFRHMRWMRRRRKIFL

7.81

-40.11

-32.3
17 pWFRMFRVMRWMRRRRKIFL

8.11

-40.3

-32.19
18 DWFsMFRRMRWMRRRRKIFL

7.72

-39.85

-32.13
19 pWFsMFRRMRWMRRRRKIFL

7.75

-39.84

-32.09
20 DWFpMFRHMRWMRRRRKIFL

8.08

-40.1

-32.02
21 DWFpMFRVMRWMRRRRKIFL

7.7

-39.62

-31.92
22 pWFRMFRRMRWMRRRRKIFL

8.06

-39.83

-31.77
23 DWFsMFRHMRWMRRRRKIFL

8.58

-40.34

-31.76
24 yWFRMFRHMRWMRRRRKIFL

8.38

-39.71

-31.33
25 yWFpMFRVMRWMRRRRKIFL

9.24

-40.44

-31.2
26 pWFpMFRHMRWMRRRRKIFL

7.99

-39.09

-31.1
27 pWFRMFRHMRWMRRRRKIFL

8.07

-38.9

-30.83
28 DWFsMFRRMRWMRRRRKIFM

8.44

-39.05

-30.61
29 yWFpMFRRMRWMRRRRKIFL

8.62

-38.87

-30.25
30 pWFpMFRVMRWMRRRRKIFL

10.34

-38.68

-28.34

 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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