Predicted ligand sequences


ADAN-name: 1QZ22.PDB (view again the scoring matrix)

PDB name: [1QZ2.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M E E V D
position 1 2 3 4 5
poly-Ala
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 3.601 ΔGbinding -3.840
TOTAL
 -0.239
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -2.450 Torsional clash 0.079
Van der Waals -1.577 Backbone clash 0.002
Electrostatics -3.423 Helix dipole -0.040
Solvation Polar 4.431 Water bridges -0.094
Solvation Hyd -1.474 Disulfide 0.000
VdW clashes 0.129 Electrost. Kon -2.124
Entropy sc 2.322 Part.cov.bonds 0.000
Entropy mc

0.382

 ΔGstability

156.352
       

Predicted ligand sequences for template [1QZ22.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).
 
  1QZ22.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMGFY 0.0
2 EMDFY 0.04
3 EDGFY 0.07
4 EMGFP 0.1
5 EDDFY 0.11
6 DMGFY 0.13
7 EMHFY 0.13
8 EMDFP 0.14
9 EDGFP 0.17
10 DMDFY 0.17
11 EDHFY 0.19
12 FMGFY 0.2
13 DDGFY 0.2
14 EDDFP 0.21
15 EEGFY 0.23
16 DMGFP 0.23
17 EMHFP 0.23
18 FMDFY 0.24
19 DDDFY 0.24
20 DMHFY 0.26
21 FDGFY 0.26
22 EMGYY 0.27
23 EEDFY 0.27
24 DMDFP 0.28
25 EDHFP 0.29
26 DDGFP 0.3
27 FMGFP 0.3
28 EMDYY 0.31
29 FDDFY 0.31
30 DDHFY 0.32
31 FMHFY 0.32
32 EEGFP 0.33
33 EDGYY 0.33
34 EMGDY 0.34
35 FMDFP 0.34
36 DDDFP 0.34
37 EEHFY 0.35
38 DMHFP 0.36
39 DEGFY 0.36
40 FDGFP 0.36
41 EEDFP 0.37
42 EMGYP 0.37
43 EMDDY 0.38
44 EDDYY 0.38
45 EMHYY 0.39
46 FDHFY 0.39
47 DEDFY 0.4
48 DMGYY 0.4
49 EMDYP 0.41
50 FDDFP 0.41
51 EDGDY 0.41
52 DDHFP 0.42
53 FMHFP 0.42
54 FEGFY 0.43
55 EDGYP 0.43
56 EMGDP 0.44
57 DMDYY 0.44
58 EDDDY 0.45
59 EEHFP 0.45
60 DEGFP 0.46
61 EDHYY 0.46
62 FMGYY 0.46
63 DMGDY 0.47
64 FEDFY 0.47
65 DDGYY 0.47
66 EMHDY 0.47
67 EMDDP 0.48
68 EDDYP 0.48
69 DEHFY 0.49
70 EMHYP 0.49
71 FDHFP 0.49
72 EEGYY 0.5
73 DMGYP 0.5
74 DEDFP 0.51
75 FMDYY 0.51
76 DDDYY 0.51
77 EDGDP 0.51
78 DMHYY 0.52
79 DMDDY 0.52
80 EDHDY 0.53
81 FEGFP 0.53
82 FDGYY 0.53
83 EEDYY 0.54
84 DMDYP 0.54
85 DDGDY 0.54
86 FMGDY 0.54
87 EDDDP 0.55
88 FEHFY 0.55
89 FMGYP 0.56
90 EDHYP 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EMDFY

3.41

-5.09

-1.68
2 FDGFY

3.08

-4.69

-1.61
3 DMDFY

3.14

-4.5

-1.36
4 DDDFY

3.51

-4.5

-0.99
5 DDGFY

3.4

-4.25

-0.85
6 EDGFY

3.42

-4.21

-0.79
7 EMDYY

3.2

-3.92

-0.72
8 DDHFY

3.17

-3.75

-0.58
9 EDDFY

3.4

-3.86

-0.46
10 FDDFY

3.81

-4.13

-0.32
11 EEDFY

3.88

-4.17

-0.29
12 DDGFP

2.11

-2.18

-0.07
13 EMGFY

3.03

-3.06

-0.03
14 DMGFY

3.07

-3.09

-0.02
15 EMGFP

2.68

-2.69

-0.01
16 EMDFP

3.13

-3.04

0.09
17 EDHFY

3.27

-3.12

0.15
18 DMHFY

3.49

-3.3

0.19
19 EDGFP

2.26

-2.06

0.2
20 EDDFP

3.06

-2.76

0.3
21 FMDFY

3.35

-2.92

0.43
22 EMHFP

3.01

-2.45

0.56
23 FMGFY

3.41

-2.83

0.58
24 EMHFY

3.52

-2.9

0.62
25 EEGFY

3.02

-2.34

0.68
26 FMGFP

2.63

-1.74

0.89
27 EMGYY

3.52

-2.59

0.93
28 DMGFP

2.73

-1.76

0.97
29 EDHFP

3.05

-1.83

1.22
30 DMDFP

5.05

-2.18

2.87

 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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