Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1GCQ-9.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 3.462 ΔGbinding -1.742
TOTAL
 1.720
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.891
Van der Waals -3.239 Backbone clash 0.038
Electrostatics 0.117 Helix dipole 0.000
Solvation Polar 3.822 Water bridges 0.000
Solvation Hyd -4.371 Disulfide 0.000
VdW clashes 0.302 Electrost. Kon 0.134
Entropy sc 0.641 Part.cov.bonds 0.000
Entropy mc

2.511

 ΔGstability

21.278
       

Predicted ligand sequences for model [HSE1_1GCQ-9.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).
 
  HSE1_1GCQ-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPPRPNRY 0.0
2 YPFRPNRY 0.01
3 YKPRPNRY 0.09
4 YPPRHNRY 0.1
5 YKFRPNRY 0.1
6 YPKRPNRY 0.11
7 YHPRPNRY 0.11
8 YPFRHNRY 0.11
9 YPPLPNRY 0.11
10 YHFRPNRY 0.12
11 YPFLPNRY 0.12
12 YPPKPNRY 0.19
13 YKPRHNRY 0.19
14 YPFKPNRY 0.2
15 YKKRPNRY 0.2
16 YKFRHNRY 0.2
17 YKPLPNRY 0.2
18 YPPLHNRY 0.21
19 YKFLPNRY 0.21
20 YPKRHNRY 0.21
21 YPKLPNRY 0.22
22 YPPRPPRY 0.22
23 YPFRPPRY 0.22
24 YHPRHNRY 0.22
25 YHPLPNRY 0.22
26 YPFLHNRY 0.22
27 YHKRPNRY 0.22
28 YHFRHNRY 0.23
29 YHFLPNRY 0.23
30 YKPKPNRY 0.28
31 YKFKPNRY 0.28
32 YPPKHNRY 0.29
33 YPKKPNRY 0.3
34 YKPLHNRY 0.3
35 YKKRHNRY 0.3
36 YPFKHNRY 0.3
37 YHPKPNRY 0.3
38 YHFKPNRY 0.31
39 YKFLHNRY 0.31
40 YKFRPPRY 0.31
41 YKPRPPRY 0.31
42 YKKLPNRY 0.31
43 YPPRHPRY 0.32
44 YPKLHNRY 0.32
45 YPKRPPRY 0.33
46 YHKLPNRY 0.33
47 YPFLPPRY 0.33
48 YPPLPPRY 0.33
49 YPFRHPRY 0.33
50 YHPLHNRY 0.33
51 YHKRHNRY 0.33
52 YHPRPPRY 0.33
53 YHFRPPRY 0.34
54 YHFLHNRY 0.34
55 YKPKHNRY 0.38
56 YKFKHNRY 0.39
57 YKKKPNRY 0.39
58 YPKKHNRY 0.4
59 YKPRHPRY 0.41
60 YHKKPNRY 0.41
61 YPFKPPRY 0.41
62 YHFKHNRY 0.41
63 YKKLHNRY 0.41
64 YHPKHNRY 0.41
65 YKKRPPRY 0.41
66 YPPKPPRY 0.41
67 YKPLPPRY 0.42
68 YKFRHPRY 0.42
69 YKFLPPRY 0.42
70 YPKRHPRY 0.43
71 YPKLPPRY 0.43
72 YPPLHPRY 0.43
73 YPFLHPRY 0.44
74 YHPLPPRY 0.44
75 YHKRPPRY 0.44
76 YHFRHPRY 0.44
77 YHPRHPRY 0.44
78 YHKLHNRY 0.44
79 YHFLPPRY 0.45
80 YKKKHNRY 0.49
81 YKPKPPRY 0.49
82 YKFKPPRY 0.5
83 YPKKPPRY 0.51
84 YPPKHPRY 0.51
85 YHKKHNRY 0.52
86 YHPKPPRY 0.52
87 YPFKHPRY 0.52
88 YKKLPPRY 0.52
89 YKKRHPRY 0.52
90 YKPLHPRY 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YKKRPNRY

2.89

-15.1

-12.21
2 YPPRPNRY

2.27

-13.67

-11.4
3 YKPRPNRY

2.46

-13.65

-11.19
4 YPKRHNRY

2.94

-13.73

-10.79
5 YPPRPPRY

2.48

-13.25

-10.77
6 YPFLPNRY

2.71

-13.35

-10.64
7 YPKRPNRY

2.28

-12.87

-10.59
8 YPPRHNRY

2.69

-13.14

-10.45
9 YKPRHNRY

3.14

-13.56

-10.42
10 YHPRHNRY

2.87

-13.11

-10.24
11 YPPKPNRY

2.25

-12.38

-10.13
12 YKFRPNRY

2.78

-12.88

-10.1
13 YPFRPPRY

2.27

-12.36

-10.09
14 YKFRHNRY

3.46

-13.53

-10.07
15 YHKRPNRY

2.93

-12.86

-9.93
16 YKFLPNRY

2.66

-12.43

-9.77
17 YKPLPNRY

2.8

-12.22

-9.42
18 YHFRPNRY

2.37

-11.6

-9.23
19 YKPKPNRY

2.58

-11.79

-9.21
20 YPPLHNRY

2.67

-11.83

-9.16
21 YHFRHNRY

2.97

-11.93

-8.96
22 YPFLHNRY

2.63

-11.17

-8.54
23 YPKLPNRY

2.49

-10.93

-8.44
24 YHPLPNRY

2.73

-11.11

-8.38
25 YPFRPNRY

2.28

-10.6

-8.32
26 YPFKPNRY

2.32

-10.61

-8.29
27 YPPLPNRY

2.1

-10.17

-8.07
28 YHFLPNRY

2.74

-10.59

-7.85
29 YHPRPNRY

3.31

-10.46

-7.15
30 YPFRHNRY

3.76

-10.13

-6.37

 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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