Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-15.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9
poly-Ala
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 5.468 ΔGbinding -0.361
TOTAL
 5.107
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.558
Van der Waals -3.460 Backbone clash 0.177
Electrostatics 0.222 Helix dipole 0.000
Solvation Polar 4.826 Water bridges 0.043
Solvation Hyd -4.879 Disulfide 0.000
VdW clashes 0.203 Electrost. Kon 0.230
Entropy sc 0.644 Part.cov.bonds 0.000
Entropy mc

3.802

 ΔGstability

33.136
       

Predicted ligand sequences for model [HSE1_1SEM-15.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_1SEM-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPFIIHRKR 0.0
2 YPWIIHRKR 0.01
3 YFFIIHRKR 0.03
4 YFWIIHRKR 0.04
5 YPYIIHRKR 0.08
6 YFYIIHRKR 0.12
7 YPFMIHRKR 0.16
8 YPWMIHRKR 0.17
9 YFFMIHRKR 0.19
10 YPFRIHRKR 0.2
11 YPWRIHRKR 0.2
12 YFWMIHRKR 0.2
13 RPFIIHRKR 0.22
14 RPWIIHRKR 0.23
15 YFFRIHRKR 0.23
16 YPYMIHRKR 0.24
17 YFWRIHRKR 0.24
18 RFFIIHRKR 0.25
19 RFWIIHRKR 0.26
20 YIFIIHRKR 0.27
21 YFYMIHRKR 0.28
22 YIWIIHRKR 0.28
23 YPYRIHRKR 0.28
24 YPFIIHKKR 0.29
25 YPFIIHRMR 0.29
26 YPWIWHRKR 0.3
27 RPYIIHRKR 0.3
28 YPWIIHRMR 0.3
29 YPFIWHRKR 0.3
30 YPWIIHKKR 0.3
31 YFYRIHRKR 0.31
32 YFFIIHRMR 0.32
33 YFFIIHKKR 0.33
34 YFWIIHRMR 0.33
35 YFFIWHRKR 0.33
36 YPFIKHRKR 0.34
37 YFWIIHKKR 0.34
38 YFWIWHRKR 0.34
39 RFYIIHRKR 0.34
40 YPWIKHRKR 0.35
41 YIYIIHRKR 0.36
42 YFFIKHRKR 0.37
43 RPFMIHRKR 0.38
44 YPYIIHRMR 0.38
45 YPYIWHRKR 0.38
46 YPYIIHKKR 0.38
47 YFWIKHRKR 0.38
48 RPWMIHRKR 0.39
49 YFYIWHRKR 0.41
50 YFYIIHRMR 0.41
51 RFFMIHRKR 0.41
52 YFYIIHKKR 0.41
53 RPFRIHRKR 0.42
54 RFWMIHRKR 0.42
55 RPWRIHRKR 0.42
56 YIFMIHRKR 0.43
57 YPYIKHRKR 0.43
58 YIWMIHRKR 0.44
59 RFFRIHRKR 0.45
60 YPFMIHKKR 0.45
61 YPFMIHRMR 0.45
62 YPFMWHRKR 0.46
63 YPWMIHKKR 0.46
64 YFYIKHRKR 0.46
65 YPWMWHRKR 0.46
66 RPYMIHRKR 0.46
67 RFWRIHRKR 0.46
68 YPWMIHRMR 0.46
69 YIFRIHRKR 0.47
70 YFFMIHRMR 0.48
71 YIWRIHRKR 0.48
72 YFFMIHKKR 0.49
73 RIFIIHRKR 0.49
74 YFFMWHRKR 0.49
75 YPFRWHRKR 0.49
76 YPFRIHKKR 0.49
77 YPFRIHRMR 0.49
78 YFWMIHKKR 0.49
79 YFWMIHRMR 0.49
80 YPWRIHRMR 0.49
81 RFYMIHRKR 0.5
82 YPFMKHRKR 0.5
83 YPWRWHRKR 0.5
84 YPWRIHKKR 0.5
85 RPYRIHRKR 0.5
86 RIWIIHRKR 0.5
87 YFWMWHRKR 0.5
88 YPWMKHRKR 0.51
89 RPFIIHRMR 0.51
90 RPWIIHKKR 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPFRIHRKR

4.13

-14.03

-9.9
2 YFWRIHRKR

3.81

-13.12

-9.31
3 YPYIIHRKR

3.12

-12.29

-9.17
4 YPWIWHRKR

3.77

-12.85

-9.08
5 YFFIIHRKR

3.6

-12.57

-8.97
6 YFFRIHRKR

4.22

-12.97

-8.75
7 YPWIIHRKR

4.55

-13.28

-8.73
8 YPFIWHRKR

2.98

-11.65

-8.67
9 YPFIIHRKR

3.32

-11.76

-8.44
10 YFWIIHRKR

2.54

-10.91

-8.37
11 YPFIIHRMR

3.52

-11.81

-8.29
12 YPFIIHKKR

4.06

-12.33

-8.27
13 YPYRIHRKR

4.46

-12.68

-8.22
14 RPFIIHRKR

3.14

-11.19

-8.05
15 YPWIIHKKR

3.57

-11.43

-7.86
16 YIFIIHRKR

4.11

-11.84

-7.73
17 YPWIIHRMR

4.1

-11.58

-7.48
18 RFFIIHRKR

3.25

-10.73

-7.48
19 YIWIIHRKR

3.91

-11.24

-7.33
20 YFYIIHRKR

3.36

-10.62

-7.26
21 RFWIIHRKR

4.15

-11.41

-7.26
22 YPWRIHRKR

5.12

-12.34

-7.22
23 RPWIIHRKR

4.85

-11.66

-6.81
24 RPYIIHRKR

4.48

-11.16

-6.68
25 YFFMIHRKR

3.13

-9.64

-6.51
26 YPYMIHRKR

3.22

-9.67

-6.45
27 YFWMIHRKR

2.79

-9.13

-6.34
28 YFYMIHRKR

3.01

-8.83

-5.82
29 YPWMIHRKR

3.78

-9.27

-5.49
30 YPFMIHRKR

4.33

-8.77

-4.44

 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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