Predicted ligand sequences


ADAN-name: 1QAV2.PDB (view again the scoring matrix)

PDB name: [1QAV.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT H L E T T F T G D G T P K T I R V
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
poly-Ala A
A
 A
A
 A
A
A
G
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 2.148 ΔGbinding -16.040
TOTAL
 -13.892
Backbone Hb -6.920 Cis_bond 0.000
Sidechain Hb -4.640 Torsional clash 0.070
Van der Waals -11.080 Backbone clash 1.050
Electrostatics -0.240 Helix dipole 0.080
Solvation Polar 12.390 Water bridges -0.870
Solvation Hyd -14.470 Disulfide 0.000
VdW clashes 0.180 Electrost. Kon -0.190
Entropy sc 4.340 Part.cov.bonds 0.000
Entropy mc

5.310

 ΔGstability

8.380
       

Predicted ligand sequences for template [1QAV2.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).
 
  1QAV2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRFMTFIGKYDFWMERE 0.0
2 KRFMTFIGKHDFWMERE 0.0
3 KRFMTFIGKFDFWMERE 0.0
4 KRFMTFIGKFDFWMEKE 0.01
5 KRFMTFIGKYDFWMEKE 0.01
6 KRFMTFIGKHDFWMEKE 0.01
7 KRFMTFIGKFEFWMERE 0.02
8 KRFMTFIGKYEFWMERE 0.02
9 KRFMTFIGKHEFWMERE 0.02
10 KRFMTFIGKHEFWMEKE 0.03
11 KRFMTFIGKYEFWMEKE 0.03
12 KRFMTFIGKFEFWMEKE 0.03
13 KRLMTFIGKHDFWMERE 0.05
14 KRLMTFIGKHDFWMEKE 0.05
15 KRLMTFIGKFDFWMERE 0.05
16 KRLMTFIGKYDFWMEKE 0.05
17 KRLMTFIGKFDFWMEKE 0.05
18 KRLMTFIGKYDFWMERE 0.05
19 KRFMTFIGKYDFMMERE 0.06
20 KRFMTFIGKHDFMMERE 0.06
21 KRFMTFIGKFDFMMERE 0.06
22 KRFMTFIGKYDFWMERD 0.07
23 KRLMTFIGKYEFWMERE 0.07
24 KRFMTFIGKHDFWMERD 0.07
25 KRFMTFIGKYDFWMEHE 0.07
26 KRLMTFIGKHEFWMEKE 0.07
27 KRLMTFIGKFEFWMEKE 0.07
28 KRFMTFIGKFDFWMEHE 0.07
29 KRFMTFIGKHDFMMEKE 0.07
30 KRFMTFIGKFDFWMERD 0.07
31 KRLMTFIGKFEFWMERE 0.07
32 KRLMTFIGKYEFWMEKE 0.07
33 KRFMTFIGKFDFMMEKE 0.07
34 KRFMTFIGKHDFWMEHE 0.07
35 KRFMTFIGKYDFMMEKE 0.07
36 KRLMTFIGKHEFWMERE 0.07
37 KRFMTFIGKFEFMMERE 0.08
38 KRFMTFIGKFDFWMEKD 0.08
39 KRFMTFIGKYDFWMEKD 0.08
40 KRFMTFIGKYEFMMERE 0.08
41 KRFMTFIGKHEFMMERE 0.08
42 KRFMTFIGKHDFWMEKD 0.08
43 KRFMTFIGKYEFWMEHE 0.09
44 KRFMTFIGKYEFWMERD 0.09
45 KRFMTFIGKHEFMMEKE 0.09
46 KRFMTFIGKFEFMMEKE 0.09
47 KRFMTFIGKFDFEMERE 0.09
48 KRFMTFIGKHDFEMERE 0.09
49 KRFMTFIGKFEFWMEHE 0.09
50 KRFMTFIGKYDFEMERE 0.09
51 KRFMTFIGKHEFWMEHE 0.09
52 KRFMTFIGKYEFMMEKE 0.09
53 KRFMTFIGKHEFWMERD 0.09
54 KRFMTFIGKFEFWMERD 0.09
55 KRFMTFIGKYDFEMEKE 0.1
56 KRIMTFIGKYDFWMERE 0.1
57 KRIMTFIGKFDFWMEKE 0.1
58 KRIMTFIGKHDFWMEKE 0.1
59 KRIMTFIGKHDFWMERE 0.1
60 KRFMTFIGKFDFEMEKE 0.1
61 KRFMTFIGKHDFEMEKE 0.1
62 KRFMTFIGKHEFWMEKD 0.1
63 KRFMTFIGKYEFWMEKD 0.1
64 KRIMTFIGKFDFWMERE 0.1
65 KRIMTFIGKYDFWMEKE 0.1
66 KRFMTFIGKFEFWMEKD 0.1
67 KRFMTFIGKYDMWMERE 0.11
68 KRLMTFIGKHDFMMEKE 0.11
69 KRLMTFIGKFDFMMERE 0.11
70 KRFMTFIGKFDMWMEKE 0.11
71 KRFMTFIGKYDMWMEKE 0.11
72 KRFMTFIGKHDMWMERE 0.11
73 KRLMTFIGKFDFMMEKE 0.11
74 KRFMTFIGKYEFEMERE 0.11
75 KRLMTFIGKHDFWMEHE 0.11
76 KRFMTFIGKFEFEMERE 0.11
77 KRLMTFIGKYDFMMEKE 0.11
78 KRLMTFIGKYDFMMERE 0.11
79 KRFMTFIGKHDMWMEKE 0.11
80 KRLMTFIGKFDFWMEHE 0.11
81 KRFMTFIGKFDMWMERE 0.11
82 KRFMTFIGKHEFEMERE 0.11
83 KRLMTFIGKYDFWMEHE 0.11
84 KRLMTFIGKHDFMMERE 0.11
85 KRFMTFIGKYEFEMEKE 0.12
86 KRIMTFIGKFEFWMEKE 0.12
87 KRFMTFIGKHEFEMEKE 0.12
88 KRIMTFIGKHEFWMEKE 0.12
89 KRFMTFIGKFEFEMEKE 0.12
90 KRLMTFIGKHDFWMERD 0.12
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRLMTFIGKHDFWMEKE

3.03

-20.68

-17.65
2 KRFMTFIGKHDFWMERD

3.96

-21.6

-17.64
3 KRLMTFIGKFDFWMERE

3.49

-20.85

-17.36
4 KRLMTFIGKHEFWMEKE

3.81

-21.08

-17.27
5 KRFMTFIGKFDFWMERD

4.42

-21.31

-16.89
6 KRFMTFIGKHDFWMEKE

2.97

-19.84

-16.87
7 KRFMTFIGKHEFWMERE

3.48

-20.27

-16.79
8 KRFMTFIGKFDFWMERE

3.65

-20.43

-16.78
9 KRFMTFIGKHDFMMEKE

3.15

-19.8

-16.65
10 KRLMTFIGKYEFWMERE

4.7

-21.12

-16.42
11 KRFMTFIGKYDFMMERE

2.91

-19.11

-16.2
12 KRLMTFIGKYDFWMEKE

3.72

-19.75

-16.03
13 KRLMTFIGKFEFWMEKE

3.59

-19.59

-16.0
14 KRFMTFIGKFEFWMEKE

3.28

-19.2

-15.92
15 KRLMTFIGKYDFWMERE

3.0

-18.91

-15.91
16 KRFMTFIGKFDFWMEHE

3.69

-19.46

-15.77
17 KRFMTFIGKYDFWMEKE

3.65

-19.31

-15.66
18 KRFMTFIGKHEFWMEKE

4.36

-19.99

-15.63
19 KRFMTFIGKYDFWMERD

4.11

-19.66

-15.55
20 KRFMTFIGKYEFWMERE

3.63

-19.18

-15.55
21 KRFMTFIGKYDFWMERE

3.27

-18.81

-15.54
22 KRFMTFIGKFDFWMEKE

3.64

-19.18

-15.54
23 KRFMTFIGKHDFMMERE

3.69

-19.21

-15.52
24 KRLMTFIGKFDFWMEKE

3.54

-19.05

-15.51
25 KRFMTFIGKHDFWMERE

4.54

-19.99

-15.45
26 KRLMTFIGKHDFWMERE

3.8

-19.19

-15.39
27 KRFMTFIGKYEFWMEKE

3.25

-18.62

-15.37
28 KRFMTFIGKFEFWMERE

3.52

-18.57

-15.05
29 KRFMTFIGKFDFMMERE

4.31

-19.22

-14.91
30 KRFMTFIGKYDFWMEHE

4.22

-17.24

-13.02

 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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