Predicted ligand sequences


ADAN-name: 1Q0W2.PDB (view again the scoring matrix)

PDB name: [1Q0W.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E D E E E L I R K A I E L S L K E S R
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19
poly-Ala
A
A
A
A
A
A
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    

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Intraclash 3.151 ΔGbinding -7.771
TOTAL
 -4.620
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.803
Van der Waals -7.885 Backbone clash 0.164
Electrostatics -0.908 Helix dipole -0.017
Solvation Polar 6.929 Water bridges -0.125
Solvation Hyd -13.491 Disulfide 0.000
VdW clashes 4.298 Electrost. Kon -1.153
Entropy sc 3.154 Part.cov.bonds 0.000
Entropy mc

2.397

 ΔGstability

25.083
       

Predicted ligand sequences for template [1Q0W2.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).
 
  1Q0W2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWFDDLMGDNRDSRIERYT 0.0
2 DWFDDLMDDNRDSRIERYT 0.0
3 DWFDDLMEDNRDSRIERYT 0.01
4 DWFDDLMDDNRDSRIDRYT 0.02
5 DWFDDLMGDNRDSRIDRYT 0.02
6 DWFDDLMEDNRDSRIDRYT 0.03
7 DWFDNLMGDNRDSRIERYT 0.03
8 DWFDSLMDDNRDSRIERYT 0.03
9 DWFDSLMGDNRDSRIERYT 0.03
10 DWFDNLMDDNRDSRIERYT 0.03
11 DWFDNLMDDNRDSRIDRYT 0.04
12 DWFDSLMDDNRDSRIDRYT 0.04
13 DWFDSLMEDNRDSRIERYT 0.04
14 DWFDNLMEDNRDSRIERYT 0.04
15 DWFEDLMGDNRDSRIERYT 0.05
16 DWFDSLMGDNRDSRIDRYT 0.05
17 DWFDNLMGDNRDSRIDRYT 0.05
18 DWFEDLMDDNRDSRIERYT 0.05
19 DWFDSLMEDNRDSRIDRYT 0.05
20 DWFEDLMDDNRDSRIDRYT 0.06
21 DWFDDLMGDNRDSDIERYT 0.06
22 DWFEDLMEDNRDSRIERYT 0.06
23 DWFDDLMDDNRDSDIERYT 0.06
24 DWFDNLMEDNRDSRIDRYT 0.06
25 DMFDDLMDDNRDSRIERYT 0.07
26 DWFDDLMDDNMDSRIERYT 0.07
27 DWFESLMDDNRDSRIERYT 0.07
28 DWFEDLMEDNRDSRIDRYT 0.07
29 DWFEDLMGDNRDSRIDRYT 0.07
30 DWFENLMDDNRDSRIERYT 0.07
31 DWFDDLMEDNRDSDIERYT 0.07
32 DWFDDLMGDNMDSRIERYT 0.07
33 DWFDDLMDDNRDSDIDRYT 0.07
34 GWFDDLMDDNRDSRIERYT 0.07
35 GWFDDLMGDNRDSRIERYT 0.07
36 VWFDDLMDDNRDSRIERYT 0.07
37 VWFDDLMGDNRDSRIERYT 0.08
38 DWFDDLMEDNRDSDIDRYT 0.08
39 DMFDDLMGDNRDSRIERYT 0.08
40 VWFDDLMEDNRDSRIERYT 0.08
41 DMFDDLMEDNRDSRIERYT 0.08
42 GWFDDLMDDNRDSRIDRYT 0.08
43 DWFENLMEDNRDSRIERYT 0.08
44 DWFESLMEDNRDSRIERYT 0.08
45 DWFDDLMDDNRDSRIERFT 0.08
46 DWFDDLMDDNMDSRIDRYT 0.08
47 DWFESLMGDNRDSRIERYT 0.08
48 GWFDDLMEDNRDSRIERYT 0.08
49 DWFENLMGDNRDSRIERYT 0.08
50 DWFDDLMEDNMDSRIERYT 0.08
51 DWFDSLMDDNRDSDIERYT 0.08
52 DWFDDLMGDNRDSDIDRYT 0.08
53 DWFDSLMDDNMDSRIERYT 0.09
54 DWFDDLMEDNMDSRIDRYT 0.09
55 GWFDDLMEDNRDSRIDRYT 0.09
56 DWFESLMDDNRDSRIDRYT 0.09
57 DWFDDLMDENRDSRIERYT 0.09
58 DWFDDLMEDNRDSRIERFT 0.09
59 DWFDNLMGDNRDSDIERYT 0.09
60 DWFDNLMDDNRDSDIERYT 0.09
61 DWFDDLMGDNRDSRIERFT 0.09
62 DWFDSLMGDNRDSDIERYT 0.09
63 DWFDSLMEDNRDSDIERYT 0.09
64 GWFDNLMDDNRDSRIERYT 0.09
65 DWFDNLMDDNMDSRIERYT 0.09
66 DWFDDLMGDNMDSRIDRYT 0.09
67 DMFDDLMDDNRDSRIDRYT 0.09
68 GWFDDLMGDNRDSRIDRYT 0.09
69 DWFESLMGDNRDSRIDRYT 0.09
70 VWFDDLMDDNRDSRIDRYT 0.09
71 DWFENLMDDNRDSRIDRYT 0.09
72 DWFDDLMGENRDSRIERYT 0.09
73 GWFDSLMDDNRDSRIERYT 0.09
74 GWFDSLMEDNRDSRIERYT 0.1
75 DWFDNLMGDNMDSRIERYT 0.1
76 DWFDDLMDDNRESRIERYT 0.1
77 DMFDDLMEDNRDSRIDRYT 0.1
78 DWFDSLMEDNMDSRIERYT 0.1
79 DWFDNLMEDNRDSDIERYT 0.1
80 DWFDSLMGDNRDSDIDRYT 0.1
81 DMFDNLMDDNRDSRIERYT 0.1
82 DWFDSLMGDNMDSRIERYT 0.1
83 GWFDNLMEDNRDSRIERYT 0.1
84 GWFDSLMGDNRDSRIERYT 0.1
85 VWFDSLMDDNRDSRIERYT 0.1
86 DWFDNLMEDNMDSRIERYT 0.1
87 DMFDDLMGDNRDSRIDRYT 0.1
88 DWFEDLMDDNRDSDIERYT 0.1
89 DWFESLMEDNRDSRIDRYT 0.1
90 VWFDNLMDDNRDSRIERYT 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DWFDDLMGDNRDSDIERYT

2.44

-20.64

-18.2
2 DWFDDLMDDNRDSDIERYT

3.0

-20.56

-17.56
3 DWFDSLMDDNRDSRIERYT

3.08

-18.02

-14.94
4 DWFDDLMGDNRDSRIDRYT

3.23

-17.73

-14.5
5 DWFDDLMEDNRDSRIERYT

3.59

-18.03

-14.44
6 DWFDSLMEDNRDSRIERYT

3.58

-17.98

-14.4
7 DWFDNLMDDNRDSRIDRYT

2.89

-17.14

-14.25
8 DWFEDLMEDNRDSRIERYT

3.16

-17.36

-14.2
9 DWFDSLMGDNRDSRIERYT

3.31

-17.09

-13.78
10 DWFDNLMGDNRDSRIERYT

3.04

-16.8

-13.76
11 DWFDNLMGDNRDSRIDRYT

2.96

-16.7

-13.74
12 DWFDSLMEDNRDSRIDRYT

2.92

-16.41

-13.49
13 DWFENLMDDNRDSRIERYT

3.13

-16.59

-13.46
14 DWFDSLMGDNRDSRIDRYT

3.15

-16.41

-13.26
15 DWFESLMDDNRDSRIERYT

3.53

-16.68

-13.15
16 DWFEDLMEDNRDSRIDRYT

3.4

-16.47

-13.07
17 DWFEDLMDDNRDSRIDRYT

3.43

-16.36

-12.93
18 DWFDDLMGDNRDSRIERYT

3.19

-16.1

-12.91
19 DWFDDLMDDNRDSRIERYT

3.87

-16.75

-12.88
20 DWFDDLMDDNMDSRIERYT

2.78

-15.58

-12.8
21 DWFEDLMGDNRDSRIERYT

3.19

-15.95

-12.76
22 DWFDDLMEDNRDSRIDRYT

3.01

-15.75

-12.74
23 DMFDDLMDDNRDSRIERYT

3.37

-15.89

-12.52
24 DWFDNLMEDNRDSRIDRYT

2.94

-15.38

-12.44
25 DWFDDLMDDNRDSRIDRYT

3.13

-15.53

-12.4
26 DWFDNLMEDNRDSRIERYT

3.58

-15.97

-12.39
27 DWFEDLMGDNRDSRIDRYT

3.55

-15.94

-12.39
28 DWFDNLMDDNRDSRIERYT

3.8

-15.23

-11.43
29 DWFDSLMDDNRDSRIDRYT

2.52

-13.77

-11.25
30 DWFEDLMDDNRDSRIERYT

3.19

-14.33

-11.14

 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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