Predicted ligand sequences


ADAN-name: 1Q5W2.PDB (view again the scoring matrix)

PDB name: [1Q5W.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M W A C Q H C T F M N Q P G T G H C E M
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
 A
A
 A A G
A
G
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 4.075 ΔGbinding 3.828
TOTAL
 7.903
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.824
Van der Waals -6.160 Backbone clash 0.442
Electrostatics -0.589 Helix dipole 0.000
Solvation Polar 7.214 Water bridges 0.000
Solvation Hyd -9.581 Disulfide 0.000
VdW clashes 7.965 Electrost. Kon -0.792
Entropy sc 2.339 Part.cov.bonds 0.000
Entropy mc

3.883

 ΔGstability

59.812
       

Predicted ligand sequences for template [1Q5W2.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).
 
  1Q5W2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWFNWEFGFNEDDHDPFSDD 0.0
2 WWFNWEFGFNEDSHDPFSDD 0.01
3 WRFNWEFGFNEDDHDPFSDD 0.02
4 WRFNWEFGFNEDSHDPFSDD 0.03
5 WWMNWEFGFNEDDHDPFSDD 0.05
6 WWMNWEFGFNEDSHDPFSDD 0.06
7 WWFNWEFGFNEDTHDPFSDD 0.07
8 WRMNWEFGFNEDDHDPFSDD 0.07
9 WRMNWEFGFNEDSHDPFSDD 0.08
10 WWFNWEFGFNEDDHDPRSDD 0.08
11 WWFNWEFGFNEDDHDPISDD 0.09
12 WWFNWEFGFNEDSHDPRSDD 0.09
13 WWFNWEFGFNEDSHDPISDD 0.09
14 WWFNFEFGFNEDDHDPFSDD 0.1
15 WWFNYEFGFNEDDHDPFSDD 0.1
16 WRFNWEFGFNEDDHDPRSDD 0.1
17 WRFNWEFGFNEDTHDPFSDD 0.1
18 WRFNWEFGFNEDSHDPISDD 0.11
19 WRFNWEFGFNEDSHDPRSDD 0.11
20 WWFNYEFGFNEDSHDPFSDD 0.11
21 WRFNWEFGFNEDDHDPISDD 0.11
22 WWFNWEFGFNEDDHTPFSDD 0.11
23 WWFNFEFGFNEDSHDPFSDD 0.11
24 WRFNYEFGFNEDDHDPFSDD 0.12
25 WWFNWEFGFNEDSHTPFSDD 0.12
26 WWMNWEFGFNEDTHDPFSDD 0.12
27 WRFNFEFGFNEDDHDPFSDD 0.12
28 WRFNYEFGFNEDSHDPFSDD 0.13
29 WRFNWEFGFNEDDHTPFSDD 0.13
30 WRFNFEFGFNEDSHDPFSDD 0.13
31 WWMNWEFGFNEDDHDPRSDD 0.13
32 WWMNWEFGFNEDSHDPISDD 0.14
33 WRMNWEFGFNEDTHDPFSDD 0.14
34 WRFNWEFGFNEDSHTPFSDD 0.14
35 WWMNWEFGFNEDDHDPISDD 0.14
36 WWMNWEFGFNEDSHDPRSDD 0.14
37 WWMNYEFGFNEDDHDPFSDD 0.15
38 WRMNWEFGFNEDDHDPRSDD 0.15
39 WWFNWEFGFNEDTHDPRSDD 0.15
40 WWMNFEFGFNEDDHDPFSDD 0.15
41 WRMNWEFGFNEDSHDPISDD 0.16
42 WWMNYEFGFNEDSHDPFSDD 0.16
43 WWFNWEFGFNEDSHDPFTDD 0.16
44 WWLNWEFGFNEDDHDPFSDD 0.16
45 WWFNWEFGFNEDTHDPISDD 0.16
46 WWFNWEFGFNEDDHDPFTDD 0.16
47 WWMNWEFGFNEDDHTPFSDD 0.16
48 WRMNWEFGFNEDSHDPRSDD 0.16
49 WRMNWEFGFNEDDHDPISDD 0.16
50 WWMNFEFGFNEDSHDPFSDD 0.16
51 WWLNWEFGFNEDSHDPFSDD 0.17
52 MWFNWEFGFNEDDHDPFSDD 0.17
53 WWFNFEFGFNEDTHDPFSDD 0.17
54 WRMNYEFGFNEDDHDPFSDD 0.17
55 WRFNWEFGFNEDTHDPRSDD 0.17
56 WRMNFEFGFNEDDHDPFSDD 0.17
57 WRFNWEFGFNEDDHDPFTDD 0.17
58 EWFNWEFGFNEDDHDPFSDD 0.17
59 WWMNWEFGFNEDSHTPFSDD 0.17
60 WWFNWEFGFLEDDHDPFSDD 0.17
61 WRMNFEFGFNEDSHDPFSDD 0.18
62 WWFNWEFGFLEDSHDPFSDD 0.18
63 EWFNWEFGFNEDSHDPFSDD 0.18
64 MWFNWEFGFNEDSHDPFSDD 0.18
65 WRMNWEFGFNEDDHTPFSDD 0.18
66 WRMNYEFGFNEDSHDPFSDD 0.18
67 WWFNYEFGFNEDTHDPFSDD 0.18
68 WWFNWEFGFNEHDHDPFSDD 0.18
69 WRLNWEFGFNEDDHDPFSDD 0.18
70 WRFNWEFGFNEDSHDPFTDD 0.18
71 WRFNWEFGFNEDTHDPISDD 0.18
72 WWFNYEFGFNEDDHDPRSDD 0.18
73 WWFNFEFGFNEDDHDPRSDD 0.18
74 WWFNFEFGFNEDSHDPRSDD 0.19
75 WWFNYEFGFNEDDHDPISDD 0.19
76 WRLNWEFGFNEDSHDPFSDD 0.19
77 WWFNWEFGFNEDDHTPRSDD 0.19
78 WWFNYEFGFNEDSHDPRSDD 0.19
79 WRMNWEFGFNEDSHTPFSDD 0.19
80 WWFNWEFGFNEHSHDPFSDD 0.19
81 WRFNWEFGFLEDDHDPFSDD 0.19
82 WWFNWEFGFNEDTHTPFSDD 0.19
83 WWFNFEFGFNEDDHDPISDD 0.19
84 MRFNWEFGFNEDDHDPFSDD 0.19
85 ERFNWEFGFNEDDHDPFSDD 0.19
86 WWFNYEFGFNEDSHDPISDD 0.2
87 WWFNWEFGFNEDDHTPISDD 0.2
88 WRFNWEFGFLEDSHDPFSDD 0.2
89 WWMNWEFGFNEDDHDPFTDD 0.2
90 WWMNWEFGFNEDTHDPRSDD 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRFNYEFGFNEDSHDPFSDD

2.65

-7.36

-4.71
2 WRFNWEFGFNEDDHDPFSDD

2.73

-6.53

-3.8
3 WWFNFEFGFNEDDHDPFSDD

5.17

-8.8

-3.63
4 WRFNWEFGFNEDDHDPRSDD

3.71

-7.11

-3.4
5 WWFNYEFGFNEDSHDPFSDD

5.31

-8.68

-3.37
6 WWMNWEFGFNEDDHDPFSDD

4.68

-7.83

-3.15
7 WWMNWEFGFNEDTHDPFSDD

4.0

-6.98

-2.98
8 WWFNWEFGFNEDDHDPRSDD

5.22

-7.84

-2.62
9 WWFNWEFGFNEDSHDPISDD

5.72

-7.99

-2.27
10 WRFNWEFGFNEDSHDPRSDD

4.6

-6.86

-2.26
11 WRFNFEFGFNEDDHDPFSDD

4.87

-7.11

-2.24
12 WRFNWEFGFNEDDHTPFSDD

2.76

-4.94

-2.18
13 WRFNWEFGFNEDDHDPISDD

4.84

-6.93

-2.09
14 WRFNYEFGFNEDDHDPFSDD

4.62

-6.46

-1.84
15 WWFNYEFGFNEDDHDPFSDD

4.97

-6.71

-1.74
16 WRFNWEFGFNEDTHDPFSDD

5.55

-6.93

-1.38
17 WWFNWEFGFNEDDHDPFSDD

5.24

-6.45

-1.21
18 WWFNWEFGFNEDSHDPRSDD

3.2

-3.13

0.07
19 WWFNWEFGFNEDDHDPISDD

3.0

-2.7

0.3
20 WRMNWEFGFNEDDHDPFSDD

2.74

-2.32

0.42
21 WWFNFEFGFNEDSHDPFSDD

3.7

-3.05

0.65
22 WWMNWEFGFNEDSHDPFSDD

3.34

-2.65

0.69
23 WRMNWEFGFNEDSHDPFSDD

2.64

-1.89

0.75
24 WWFNWEFGFNEDDHTPFSDD

2.33

-1.34

0.99
25 WWFNWEFGFNEDSHDPFSDD

3.53

-2.48

1.05
26 WRFNWEFGFNEDSHDPISDD

2.86

-1.69

1.17
27 WRFNWEFGFNEDSHDPFSDD

2.86

-1.5

1.36
28 WRFNFEFGFNEDSHDPFSDD

3.88

-2.46

1.42
29 WWFNWEFGFNEDTHDPFSDD

3.89

-2.08

1.81
30 WWFNWEFGFNEDSHTPFSDD

5.41

-2.25

3.16

 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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